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multiple.mol2
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multiple.mol2
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@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 5.9063 24.9584 25.9808 C.3 1 UNL1 0.2586
2 C 4.7041 24.1561 26.7625 C.3 1 UNL1 0.1841
3 C 4.3137 24.9723 28.0348 C.3 1 UNL1 0.2062
4 C 5.6843 25.1844 28.7746 C.3 1 UNL1 0.1795
5 C 6.7356 26.0149 27.8889 C.3 1 UNL1 0.1803
6 O 7.1258 25.0806 26.8068 O.3 1 UNL1 -0.3263
7 N 3.5113 23.9905 25.9254 N.am 1 UNL1 -0.1992
8 C 3.1108 22.8071 25.3967 C.2 1 UNL1 0.2420
9 O 3.7384 21.8496 25.5073 O.2 1 UNL1 -0.2733
10 C 1.8037 22.8588 24.6767 C.3 1 UNL1 0.0964
11 O 3.3693 24.2052 28.8011 O.3 1 UNL1 -0.2184
12 C 7.9504 26.3491 28.7097 C.3 1 UNL1 0.2141
13 O 8.2497 25.1328 29.5559 O.3 1 UNL1 -0.2176
14 O 5.5738 25.9109 30.0347 O.3 1 UNL1 -0.3264
15 C 4.5765 26.6958 30.7444 C.3 1 UNL1 0.2586
16 C 3.8370 27.7677 29.9491 C.3 1 UNL1 0.1842
17 C 3.0139 28.6064 30.8744 C.3 1 UNL1 0.2094
18 C 2.2228 27.7337 31.8944 C.3 1 UNL1 0.2136
19 C 3.0305 26.5789 32.5223 C.3 1 UNL1 0.1834
20 O 3.6985 25.8368 31.4989 O.3 1 UNL1 -0.3262
21 N 4.9524 28.5919 29.2913 N.am 1 UNL1 -0.1992
22 C 4.7764 29.2876 28.1519 C.2 1 UNL1 0.2420
23 O 3.8923 29.0778 27.4442 O.2 1 UNL1 -0.2733
24 C 5.7995 30.3429 27.9091 C.3 1 UNL1 0.0964
25 O 1.7768 28.5816 33.0056 O.3 1 UNL1 -0.2176
26 O 2.0576 29.3423 30.0865 O.3 1 UNL1 -0.2183
27 C 2.1195 25.5825 33.2269 C.3 1 UNL1 0.2142
28 O 0.7513 25.6243 32.7198 O.3 1 UNL1 -0.2176
29 O 6.2641 24.2063 24.7618 O.3 1 UNL1 -0.3264
30 C 8.6273 24.3604 21.3671 C.3 1 UNL1 0.2917
31 C 8.9008 25.5399 22.3343 C.3 1 UNL1 0.1870
32 C 8.2417 25.2652 23.6700 C.3 1 UNL1 0.2063
33 C 6.7494 24.8542 23.4150 C.3 1 UNL1 0.1795
34 C 6.4797 23.8858 22.2544 C.3 1 UNL1 0.1803
35 O 7.1783 24.4097 21.0650 O.3 1 UNL1 -0.3243
36 N 10.3585 25.7246 22.4745 N.am 1 UNL1 -0.1991
37 C 10.9478 26.9262 22.6921 C.2 1 UNL1 0.2420
38 O 10.3285 27.8881 22.7405 O.2 1 UNL1 -0.2733
39 C 12.4231 26.8477 22.8571 C.3 1 UNL1 0.0964
40 O 8.2163 26.4191 24.5232 O.3 1 UNL1 -0.2184
41 O 9.2627 24.7279 20.1476 O.3 1 UNL1 -0.1879
42 C 5.0185 23.7807 21.8917 C.3 1 UNL1 0.2141
43 O 4.1265 24.6034 22.7800 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 3.3700 27.1632 29.0367 C.3 1 UNL1 0.2586
2 C 4.9596 27.2558 29.4428 C.3 1 UNL1 0.1841
3 C 5.8025 26.6615 28.2707 C.3 1 UNL1 0.2062
4 C 5.1649 25.2439 28.0367 C.3 1 UNL1 0.1795
5 C 3.6181 25.3309 27.6134 C.3 1 UNL1 0.1803
6 O 2.9221 25.7676 28.8467 O.3 1 UNL1 -0.3263
7 N 5.3924 28.6367 29.6805 N.am 1 UNL1 -0.1992
8 C 5.8142 29.1060 30.8815 C.2 1 UNL1 0.2420
9 O 5.7837 28.4577 31.8311 O.2 1 UNL1 -0.2733
10 C 6.3167 30.5118 30.8576 C.3 1 UNL1 0.0964
11 O 7.1800 26.6026 28.6789 O.3 1 UNL1 -0.2184
12 C 3.1136 23.9696 27.2217 C.3 1 UNL1 0.2141
13 O 3.1039 23.9292 25.7107 O.3 1 UNL1 -0.2176
14 O 5.8147 24.4653 26.9881 O.3 1 UNL1 -0.3264
15 C 6.5150 24.7111 25.7377 C.3 1 UNL1 0.2586
16 C 7.9539 24.2139 25.6346 C.3 1 UNL1 0.1842
17 C 8.5792 24.7319 24.3785 C.3 1 UNL1 0.2094
18 C 7.6295 24.5738 23.1535 C.3 1 UNL1 0.2136
19 C 6.1598 24.9605 23.4191 C.3 1 UNL1 0.1834
20 O 5.6964 24.3281 24.6146 O.3 1 UNL1 -0.3262
21 N 8.6452 24.7862 26.8799 N.am 1 UNL1 -0.1992
22 C 9.8950 24.4454 27.2474 C.2 1 UNL1 0.2420
23 O 10.4099 23.4994 26.8394 O.2 1 UNL1 -0.2733
24 C 10.5403 25.3965 28.1952 C.3 1 UNL1 0.0964
25 O 8.0987 25.4428 22.0684 O.3 1 UNL1 -0.2176
26 O 9.7703 23.9638 24.1171 O.3 1 UNL1 -0.2183
27 C 5.2449 24.4634 22.3078 C.3 1 UNL1 0.2142
28 O 5.9508 23.6359 21.3341 O.3 1 UNL1 -0.2176
29 O 2.5667 27.7470 30.1292 O.3 1 UNL1 -0.3264
30 C 0.3277 27.3592 33.5889 C.3 1 UNL1 0.2917
31 C 1.7210 26.6910 33.7060 C.3 1 UNL1 0.1870
32 C 2.5918 27.1244 32.5450 C.3 1 UNL1 0.2063
33 C 1.7874 26.9192 31.2141 C.3 1 UNL1 0.1795
34 C 0.3111 27.3413 31.2173 C.3 1 UNL1 0.1803
35 O -0.3210 26.7429 32.4088 O.3 1 UNL1 -0.3243
36 N 2.3248 27.0520 35.0037 N.am 1 UNL1 -0.1991
37 C 2.3569 26.2226 36.0759 C.2 1 UNL1 0.2420
38 O 1.8693 25.1874 36.0372 O.2 1 UNL1 -0.2733
39 C 3.0713 26.7900 37.2496 C.3 1 UNL1 0.0964
40 O 3.7918 26.3454 32.4312 O.3 1 UNL1 -0.2184
41 O -0.4111 26.8703 34.7030 O.3 1 UNL1 -0.1879
42 C -0.4559 26.8404 30.0180 C.3 1 UNL1 0.2141
43 O 0.1411 25.6027 29.4072 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 3.5697 27.3380 28.5243 C.3 1 UNL1 0.2586
2 C 3.2157 25.7502 28.2918 C.3 1 UNL1 0.1841
3 C 4.5273 25.0081 27.8839 C.3 1 UNL1 0.2062
4 C 5.0657 25.8470 26.6684 C.3 1 UNL1 0.1795
5 C 5.3954 27.3662 27.0715 C.3 1 UNL1 0.1803
6 O 4.0675 27.9858 27.2927 O.3 1 UNL1 -0.3263
7 N 2.6744 25.1193 29.4999 N.am 1 UNL1 -0.1992
8 C 3.3229 25.0740 30.6907 C.2 1 UNL1 0.2420
9 O 4.3972 25.4664 30.8119 O.2 1 UNL1 -0.2733
10 C 2.5282 24.4845 31.8089 C.3 1 UNL1 0.0964
11 O 4.1988 23.6523 27.5351 O.3 1 UNL1 -0.2184
12 C 6.0787 28.0658 25.9293 C.3 1 UNL1 0.2141
13 O 5.2398 27.8072 24.6986 O.3 1 UNL1 -0.2176
14 O 6.2935 25.3223 26.0810 O.3 1 UNL1 -0.3264
15 C 6.7582 24.8619 24.7824 C.3 1 UNL1 0.2586
16 C 5.6973 24.4227 23.7774 C.3 1 UNL1 0.1842
17 C 6.3545 23.7899 22.5922 C.3 1 UNL1 0.2094
18 C 7.5746 24.6223 22.0962 C.3 1 UNL1 0.2136
19 C 8.4975 25.1486 23.2150 C.3 1 UNL1 0.1834
20 O 7.7193 25.7845 24.2318 O.3 1 UNL1 -0.3262
21 N 4.8390 23.4094 24.5474 N.am 1 UNL1 -0.1992
22 C 3.5899 23.0722 24.1743 C.2 1 UNL1 0.2420
23 O 2.9775 23.7238 23.4485 O.2 1 UNL1 -0.2733
24 C 3.0942 21.7958 24.7613 C.3 1 UNL1 0.0964
25 O 8.4085 23.7808 21.2306 O.3 1 UNL1 -0.2176
26 O 5.3931 23.7321 21.5201 O.3 1 UNL1 -0.2183
27 C 9.4486 26.2177 22.6938 C.3 1 UNL1 0.2142
28 O 10.6374 25.6475 22.0671 O.3 1 UNL1 -0.2176
29 O 2.3394 28.0428 28.9356 O.3 1 UNL1 -0.3264
30 C 3.8650 30.1624 32.1470 C.3 1 UNL1 0.2917
31 C 2.6359 29.3016 32.5345 C.3 1 UNL1 0.1870
32 C 2.3198 28.3334 31.4135 C.3 1 UNL1 0.2063
33 C 2.2621 29.1328 30.0650 C.3 1 UNL1 0.1795
34 C 3.3510 30.1898 29.8319 C.3 1 UNL1 0.1803
35 O 3.4163 31.0363 31.0387 O.3 1 UNL1 -0.3243
36 N 2.9171 28.5959 33.8000 N.am 1 UNL1 -0.1991
37 C 1.9643 28.2691 34.7077 C.2 1 UNL1 0.2420
38 O 0.8702 28.5674 34.5495 O.2 1 UNL1 -0.2733
39 C 2.4853 27.5094 35.8744 C.3 1 UNL1 0.0964
40 O 1.0442 27.6958 31.5751 O.3 1 UNL1 -0.2184
41 O 4.0588 31.0452 33.2466 O.3 1 UNL1 -0.1879
42 C 3.0542 31.1070 28.6707 C.3 1 UNL1 0.2141
43 O 2.2261 30.4557 27.5975 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 6.9109 25.0463 26.5001 C.3 1 UNL1 0.2586
2 C 5.3931 24.4184 26.5505 C.3 1 UNL1 0.1841
3 C 4.4358 25.4928 27.1559 C.3 1 UNL1 0.2062
4 C 5.1326 25.8915 28.5073 C.3 1 UNL1 0.1795
5 C 6.5928 26.5205 28.2806 C.3 1 UNL1 0.1803
6 O 7.4251 25.3739 27.8465 O.3 1 UNL1 -0.3263
7 N 4.9017 24.0465 25.2198 N.am 1 UNL1 -0.1992
8 C 4.0804 22.9940 24.9784 C.2 1 UNL1 0.2420
9 O 3.7732 22.2609 25.8098 O.2 1 UNL1 -0.2733
10 C 3.6165 22.8794 23.5639 C.3 1 UNL1 0.0964
11 O 3.1385 24.9006 27.3407 O.3 1 UNL1 -0.2184
12 C 7.1317 27.0535 29.5793 C.3 1 UNL1 0.2141
13 O 6.6425 26.1233 30.6658 O.3 1 UNL1 -0.2176
14 O 4.3966 26.8809 29.2866 O.3 1 UNL1 -0.3264
15 C 3.2800 26.9087 30.2176 C.3 1 UNL1 0.2586
16 C 3.2154 28.0788 31.1948 C.3 1 UNL1 0.1842
17 C 2.1367 27.8375 32.2023 C.3 1 UNL1 0.2094
18 C 0.8240 27.3320 31.5323 C.3 1 UNL1 0.2136
19 C 1.0246 26.2561 30.4448 C.3 1 UNL1 0.1834
20 O 2.0374 26.6730 29.5259 O.3 1 UNL1 -0.3262
21 N 4.6012 28.1014 31.8547 N.am 1 UNL1 -0.1992
22 C 5.3441 29.2191 31.9637 C.2 1 UNL1 0.2420
23 O 5.1352 30.1508 31.3197 O.2 1 UNL1 -0.2733
24 C 6.4248 29.1443 32.9864 C.3 1 UNL1 0.0964
25 O -0.0367 26.7315 32.5577 O.3 1 UNL1 -0.2176
26 O 1.8453 29.0864 32.8598 O.3 1 UNL1 -0.2183
27 C -0.2360 26.0665 29.6116 C.3 1 UNL1 0.2142
28 O -1.1933 27.1532 29.7955 O.3 1 UNL1 -0.2176
29 O 7.8186 24.0457 25.9048 O.3 1 UNL1 -0.3264
30 C 10.9008 26.5894 24.8267 C.3 1 UNL1 0.2917
31 C 10.2605 25.8824 23.6053 C.3 1 UNL1 0.1870
32 C 8.9661 25.2168 24.0243 C.3 1 UNL1 0.2063
33 C 9.2387 24.3605 25.3101 C.3 1 UNL1 0.1795
34 C 10.1202 24.9925 26.3969 C.3 1 UNL1 0.1803
35 O 11.3368 25.5082 25.7400 O.3 1 UNL1 -0.3243
36 N 10.0412 26.8716 22.5319 N.am 1 UNL1 -0.1991
37 C 10.8511 27.0034 21.4525 C.2 1 UNL1 0.2420
38 O 11.7923 26.3614 21.3379 O.2 1 UNL1 -0.2733
39 C 10.3896 28.0289 20.4802 C.3 1 UNL1 0.0964
40 O 8.4558 24.3200 23.0267 O.3 1 UNL1 -0.2184
41 O 12.1105 27.1547 24.3337 O.3 1 UNL1 -0.1879
42 C 10.5746 24.0066 27.4453 C.3 1 UNL1 0.2141
43 O 9.4892 23.6316 28.4164 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 4.9441 26.6243 29.5202 C.3 1 UNL1 0.2586
2 C 3.7333 26.1466 28.5172 C.3 1 UNL1 0.1841
3 C 4.2183 24.8939 27.7217 C.3 1 UNL1 0.2062
4 C 5.5809 25.3595 27.0911 C.3 1 UNL1 0.1795
5 C 6.6664 25.7581 28.2056 C.3 1 UNL1 0.1803
6 O 6.1579 27.0264 28.7790 O.3 1 UNL1 -0.3263
7 N 2.5120 25.7952 29.2492 N.am 1 UNL1 -0.1992
8 C 1.4867 26.6542 29.4757 C.2 1 UNL1 0.2420
9 O 1.5441 27.7616 29.1705 O.2 1 UNL1 -0.2733
10 C 0.2980 26.0415 30.1397 C.3 1 UNL1 0.0964
11 O 3.2237 24.5605 26.7382 O.3 1 UNL1 -0.2184
12 C 7.9997 26.0124 27.5586 C.3 1 UNL1 0.2141
13 O 7.7705 27.0554 26.4888 O.3 1 UNL1 -0.2176
14 O 6.2266 24.3504 26.2588 O.3 1 UNL1 -0.3264
15 C 6.5705 24.1651 24.8582 C.3 1 UNL1 0.2586
16 C 5.4171 24.0512 23.8657 C.3 1 UNL1 0.1842
17 C 5.9430 23.6577 22.5220 C.3 1 UNL1 0.2094
18 C 7.2044 24.4845 22.1314 C.3 1 UNL1 0.2136
19 C 8.2354 24.6675 23.2644 C.3 1 UNL1 0.1834
20 O 7.5797 25.1120 24.4546 O.3 1 UNL1 -0.3262
21 N 4.5143 22.9581 24.4543 N.am 1 UNL1 -0.1992
22 C 3.2025 22.8566 24.1679 C.2 1 UNL1 0.2420
23 O 2.6115 23.7351 23.7146 O.2 1 UNL1 -0.2733
24 C 2.6066 21.5247 24.4685 C.3 1 UNL1 0.0964
25 O 7.9050 23.8017 21.0379 O.3 1 UNL1 -0.2176
26 O 4.9200 23.9215 21.5418 O.3 1 UNL1 -0.2183
27 C 9.2499 25.7507 22.9229 C.3 1 UNL1 0.2142
28 O 10.3363 25.2516 22.0851 O.3 1 UNL1 -0.2176
29 O 4.4843 27.7935 30.2955 O.3 1 UNL1 -0.3264
30 C 4.4573 31.8801 30.9522 C.3 1 UNL1 0.2917
31 C 4.3846 31.5208 29.4464 C.3 1 UNL1 0.1870
32 C 4.0923 30.0429 29.2901 C.3 1 UNL1 0.2063
33 C 5.0934 29.2383 30.1907 C.3 1 UNL1 0.1795
34 C 5.3600 29.7851 31.6004 C.3 1 UNL1 0.1803
35 O 5.6779 31.2200 31.4693 O.3 1 UNL1 -0.3243
36 N 3.3506 32.3515 28.7986 N.am 1 UNL1 -0.1991
37 C 3.4122 32.7585 27.5066 C.2 1 UNL1 0.2420
38 O 4.3134 32.5021 26.8485 O.2 1 UNL1 -0.2733
39 C 2.2237 33.5358 27.0672 C.3 1 UNL1 0.0964
40 O 4.2781 29.5805 27.9442 O.3 1 UNL1 -0.2184
41 O 4.7577 33.2711 30.9857 O.3 1 UNL1 -0.1879
42 C 6.5417 29.1363 32.2790 C.3 1 UNL1 0.2141
43 O 7.3085 28.2097 31.3762 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 3.3566 27.3127 28.6574 C.3 1 UNL1 0.2586
2 C 2.9570 25.7251 28.5143 C.3 1 UNL1 0.1841
3 C 4.2219 24.9395 28.0453 C.3 1 UNL1 0.2062
4 C 4.6883 25.7188 26.7622 C.3 1 UNL1 0.1795
5 C 5.0746 27.2449 27.0799 C.3 1 UNL1 0.1803
6 O 3.7777 27.9013 27.3688 O.3 1 UNL1 -0.3263
7 N 2.4911 25.1534 29.7819 N.am 1 UNL1 -0.1992
8 C 3.2379 25.1011 30.9133 C.2 1 UNL1 0.2420
9 O 4.3377 25.4374 30.9306 O.2 1 UNL1 -0.2733
10 C 2.5143 24.5824 32.1119 C.3 1 UNL1 0.0964
11 O 3.8439 23.5786 27.7753 O.3 1 UNL1 -0.2184
12 C 5.6880 27.8847 25.8652 C.3 1 UNL1 0.2141
13 O 4.6654 28.8583 25.3251 O.3 1 UNL1 -0.2176
14 O 5.8611 25.1452 26.1115 O.3 1 UNL1 -0.3264
15 C 7.1922 24.6959 26.4866 C.3 1 UNL1 0.2586
16 C 8.2954 24.8342 25.4416 C.3 1 UNL1 0.1842
17 C 9.5314 24.1382 25.9157 C.3 1 UNL1 0.2094
18 C 9.8468 24.4727 27.4044 C.3 1 UNL1 0.2136
19 C 8.6243 24.4547 28.3454 C.3 1 UNL1 0.1834
20 O 7.5594 25.2214 27.7777 O.3 1 UNL1 -0.3262
21 N 7.7203 24.1595 24.1884 N.am 1 UNL1 -0.1992
22 C 7.3113 24.8484 23.1062 C.2 1 UNL1 0.2420
23 O 7.0854 25.9766 23.1557 O.2 1 UNL1 -0.2733
24 C 7.1997 24.0350 21.8631 C.3 1 UNL1 0.0964
25 O 10.7902 23.4790 27.9292 O.3 1 UNL1 -0.2176
26 O 10.6406 24.5925 25.1156 O.3 1 UNL1 -0.2183
27 C 8.9414 25.1143 29.6810 C.3 1 UNL1 0.2142
28 O 10.1258 24.5442 30.3159 O.3 1 UNL1 -0.2176
29 O 2.1722 28.0595 29.1256 O.3 1 UNL1 -0.3264
30 C 4.0024 30.3522 32.0456 C.3 1 UNL1 0.2917
31 C 2.8546 29.4777 32.6109 C.3 1 UNL1 0.1870
32 C 2.4376 28.4548 31.5747 C.3 1 UNL1 0.2063
33 C 2.1962 29.1942 30.2124 C.3 1 UNL1 0.1795
34 C 3.2172 30.2678 29.8093 C.3 1 UNL1 0.1803
35 O 3.3993 31.1663 30.9655 O.3 1 UNL1 -0.3243
36 N 3.3052 28.8339 33.8604 N.am 1 UNL1 -0.1991
37 C 2.5615 28.7857 34.9931 C.2 1 UNL1 0.2420
38 O 1.5348 29.2897 35.0480 O.2 1 UNL1 -0.2733
39 C 3.2062 28.0317 36.1002 C.3 1 UNL1 0.0964
40 O 1.2100 27.7923 31.9127 O.3 1 UNL1 -0.2184
41 O 4.2983 31.2857 33.0786 O.3 1 UNL1 -0.1879
42 C 2.7571 31.1268 28.6569 C.3 1 UNL1 0.2141
43 O 2.9001 30.4520 27.3206 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 3.4462 27.0406 31.0743 C.3 1 UNL1 0.2586
2 C 2.7685 26.5502 29.6599 C.3 1 UNL1 0.1841
3 C 3.7172 25.5026 28.9967 C.3 1 UNL1 0.2062
4 C 5.1070 26.2357 28.9531 C.3 1 UNL1 0.1795
5 C 5.6447 26.6154 30.4180 C.3 1 UNL1 0.1803
6 O 4.7492 27.7070 30.8682 O.3 1 UNL1 -0.3263
7 N 1.4528 25.9338 29.8590 N.am 1 UNL1 -0.1992
8 C 0.2742 26.5600 29.6153 C.2 1 UNL1 0.2420
9 O 0.2278 27.6667 29.3054 O.2 1 UNL1 -0.2733
10 C -0.9332 25.6968 29.7777 C.3 1 UNL1 0.0964
11 O 3.2057 25.1804 27.6920 O.3 1 UNL1 -0.2184
12 C 7.0513 27.1398 30.3308 C.3 1 UNL1 0.2141
13 O 7.9687 25.9568 30.5401 O.3 1 UNL1 -0.2176
14 O 6.1725 25.4541 28.3353 O.3 1 UNL1 -0.3264
15 C 6.6146 25.1007 26.9959 C.3 1 UNL1 0.2586
16 C 8.0205 24.5249 26.8545 C.3 1 UNL1 0.1842
17 C 8.3805 24.4189 25.4067 C.3 1 UNL1 0.2094
18 C 7.2195 23.8074 24.5667 C.3 1 UNL1 0.2136
19 C 5.8172 24.3549 24.9049 C.3 1 UNL1 0.1834
20 O 5.6078 24.3223 26.3188 O.3 1 UNL1 -0.3262
21 N 8.9206 25.5336 27.5815 N.am 1 UNL1 -0.1992
22 C 10.1660 25.2379 27.9995 C.2 1 UNL1 0.2420
23 O 10.5254 24.1494 28.1111 O.2 1 UNL1 -0.2733
24 C 11.0211 26.4254 28.2791 C.3 1 UNL1 0.0964
25 O 7.4492 24.1003 23.1474 O.3 1 UNL1 -0.2176
26 O 9.5205 23.5453 25.2876 O.3 1 UNL1 -0.2183
27 C 4.7213 23.4842 24.3050 C.3 1 UNL1 0.2142
28 O 3.5066 23.4818 25.1148 O.3 1 UNL1 -0.2176
29 O 2.5428 28.0127 31.7212 O.3 1 UNL1 -0.3264
30 C 3.0653 26.9494 35.6872 C.3 1 UNL1 0.2917
31 C 1.8093 26.2948 35.0580 C.3 1 UNL1 0.1870
32 C 1.8435 26.4714 33.5542 C.3 1 UNL1 0.2063
33 C 2.1235 27.9816 33.2353 C.3 1 UNL1 0.1795
34 C 3.1958 28.6868 34.0781 C.3 1 UNL1 0.1803
35 O 2.9016 28.4089 35.4971 O.3 1 UNL1 -0.3243
36 N 1.7634 24.8691 35.4376 N.am 1 UNL1 -0.1991
37 C 0.7308 24.3014 36.1084 C.2 1 UNL1 0.2420
38 O -0.1632 24.9267 36.4561 O.2 1 UNL1 -0.2733
39 C 0.8890 22.8390 36.3233 C.3 1 UNL1 0.0964
40 O 0.5957 26.1376 32.9285 O.3 1 UNL1 -0.2184
41 O 2.9224 26.7499 37.0893 O.3 1 UNL1 -0.1879
42 C 3.1908 30.1874 33.9169 C.3 1 UNL1 0.2141
43 O 2.2352 30.6667 32.8593 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 6.4113 26.5301 27.3324 C.3 1 UNL1 0.2586
2 C 7.3018 26.4513 28.7113 C.3 1 UNL1 0.1841
3 C 6.3348 26.5817 29.9299 C.3 1 UNL1 0.2062
4 C 5.5299 27.8973 29.6258 C.3 1 UNL1 0.1795
5 C 4.6869 27.7974 28.2625 C.3 1 UNL1 0.1803
6 O 5.7116 27.8244 27.1923 O.3 1 UNL1 -0.3263
7 N 8.0361 25.1870 28.8265 N.am 1 UNL1 -0.1992
8 C 9.3521 25.0416 28.5310 C.2 1 UNL1 0.2420
9 O 9.9726 25.9013 28.0850 O.2 1 UNL1 -0.2733
10 C 9.9120 23.6916 28.8366 C.3 1 UNL1 0.0964
11 O 7.1191 26.6629 31.1324 O.3 1 UNL1 -0.2184
12 C 3.7959 29.0001 28.1183 C.3 1 UNL1 0.2141
13 O 2.4179 28.5755 28.5722 O.3 1 UNL1 -0.2176
14 O 4.5637 28.2554 30.6584 O.3 1 UNL1 -0.3264
15 C 3.7289 27.5779 31.6373 C.3 1 UNL1 0.2586
16 C 3.9246 27.9566 33.1025 C.3 1 UNL1 0.1842
17 C 3.1456 27.0239 33.9744 C.3 1 UNL1 0.2094
18 C 1.7023 26.7979 33.4328 C.3 1 UNL1 0.2136
19 C 1.6093 26.5789 31.9085 C.3 1 UNL1 0.1834
20 O 2.3483 27.5929 31.2231 O.3 1 UNL1 -0.3262
21 N 5.4347 27.8093 33.3359 N.am 1 UNL1 -0.1992
22 C 6.0892 28.4427 34.3276 C.2 1 UNL1 0.2420
23 O 5.6347 29.3513 34.8701 O.2 1 UNL1 -0.2733
24 C 7.4182 27.8580 34.6614 C.3 1 UNL1 0.0964
25 O 1.1375 25.5980 34.0606 O.3 1 UNL1 -0.2176
26 O 3.0392 27.6138 35.2849 O.3 1 UNL1 -0.2183
27 C 0.1744 26.7089 31.4150 C.3 1 UNL1 0.2142
28 O -0.7300 27.1914 32.4543 O.3 1 UNL1 -0.2176
29 O 7.3154 26.3815 26.1748 O.3 1 UNL1 -0.3264
30 C 5.9780 24.6152 22.6785 C.3 1 UNL1 0.2917
31 C 5.5119 23.8523 23.9444 C.3 1 UNL1 0.1870
32 C 5.7671 24.7016 25.1722 C.3 1 UNL1 0.2063
33 C 7.2493 25.2132 25.1260 C.3 1 UNL1 0.1795
34 C 7.7752 25.7104 23.7718 C.3 1 UNL1 0.1803
35 O 7.4550 24.6811 22.7641 O.3 1 UNL1 -0.3243
36 N 4.0826 23.5107 23.8064 N.am 1 UNL1 -0.1991
37 C 3.4790 22.5070 24.4897 C.2 1 UNL1 0.2420
38 O 4.0745 21.8325 25.1979 O.2 1 UNL1 -0.2733
39 C 2.0204 22.3962 24.2252 C.3 1 UNL1 0.0964
40 O 5.6180 23.9660 26.3956 O.3 1 UNL1 -0.2184
41 O 5.7187 23.7277 21.5962 O.3 1 UNL1 -0.1879
42 C 9.2726 25.8971 23.7448 C.3 1 UNL1 0.2141
43 O 9.9413 25.5127 25.0358 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 7.6895 26.5850 25.9407 C.3 1 UNL1 0.2586
2 C 8.5601 26.6303 27.3337 C.3 1 UNL1 0.1841
3 C 7.7821 27.4979 28.3725 C.3 1 UNL1 0.2062
4 C 7.5147 28.8439 27.6058 C.3 1 UNL1 0.1795
5 C 6.6219 28.6306 26.2880 C.3 1 UNL1 0.1803
6 O 7.5207 27.9263 25.3434 O.3 1 UNL1 -0.3263
7 N 8.7709 25.2942 27.9004 N.am 1 UNL1 -0.1992
8 C 9.8949 24.9153 28.5588 C.2 1 UNL1 0.2420
9 O 10.8085 25.6083 28.6482 O.2 1 UNL1 -0.2733
10 C 9.8368 23.5454 29.1499 C.3 1 UNL1 0.0964
11 O 8.6047 27.6649 29.5400 O.3 1 UNL1 -0.2184
12 C 6.2414 29.9622 25.7022 C.3 1 UNL1 0.2141
13 O 4.7777 29.8719 25.3353 O.3 1 UNL1 -0.2176
14 O 6.8127 29.8491 28.3961 O.3 1 UNL1 -0.3264
15 C 5.6291 29.9280 29.2371 C.3 1 UNL1 0.2586
16 C 4.4407 30.7178 28.6966 C.3 1 UNL1 0.1842
17 C 3.4060 30.8699 29.7660 C.3 1 UNL1 0.2094
18 C 3.1507 29.5288 30.5167 C.3 1 UNL1 0.2136
19 C 4.4240 28.7357 30.8773 C.3 1 UNL1 0.1834
20 O 5.2701 28.6220 29.7305 O.3 1 UNL1 -0.3262
21 N 5.0351 32.0756 28.2973 N.am 1 UNL1 -0.1992
22 C 4.4785 32.8757 27.3683 C.2 1 UNL1 0.2420
23 O 3.7088 32.4787 26.6091 O.2 1 UNL1 -0.2733
24 C 4.9285 34.2947 27.4267 C.3 1 UNL1 0.0964
25 O 2.4643 29.8114 31.7823 O.3 1 UNL1 -0.2176
26 O 2.1695 31.2713 29.1440 O.3 1 UNL1 -0.2183
27 C 4.0913 27.3075 31.2881 C.3 1 UNL1 0.2142
28 O 5.1661 26.3722 30.9701 O.3 1 UNL1 -0.2176
29 O 8.4060 25.7448 24.9608 O.3 1 UNL1 -0.3264
30 C 5.6407 24.4742 22.1551 C.3 1 UNL1 0.2917
31 C 5.4381 23.7995 23.5355 C.3 1 UNL1 0.1870
32 C 6.2667 24.5190 24.5793 C.3 1 UNL1 0.2063
33 C 7.7325 24.6641 24.0398 C.3 1 UNL1 0.1795
34 C 7.8988 25.0699 22.5684 C.3 1 UNL1 0.1803
35 O 7.0384 24.1833 21.7615 O.3 1 UNL1 -0.3243
36 N 4.0020 23.8133 23.8763 N.am 1 UNL1 -0.1991
37 C 3.3926 22.8482 24.6083 C.2 1 UNL1 0.2420
38 O 3.9710 21.9306 24.9750 O.2 1 UNL1 -0.2733
39 C 1.9535 23.1145 24.8689 C.3 1 UNL1 0.0964
40 O 6.3476 23.7968 25.8170 O.3 1 UNL1 -0.2184
41 O 4.8459 23.7134 21.2521 O.3 1 UNL1 -0.1879
42 C 9.3077 24.8955 22.0563 C.3 1 UNL1 0.2141
43 O 10.3497 25.4541 22.9858 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 5.6551 26.8290 27.3598 C.3 1 UNL1 0.2586
2 C 6.4403 26.6675 28.7942 C.3 1 UNL1 0.1841
3 C 5.3794 26.6730 29.9395 C.3 1 UNL1 0.2062
4 C 4.5541 27.9843 29.6746 C.3 1 UNL1 0.1795
5 C 3.8213 27.9680 28.2456 C.3 1 UNL1 0.1803
6 O 4.9229 28.1093 27.2645 O.3 1 UNL1 -0.3263
7 N 7.2078 25.4201 28.8697 N.am 1 UNL1 -0.1992
8 C 8.5531 25.3435 28.7123 C.2 1 UNL1 0.2420
9 O 9.1836 26.2613 28.4240 O.2 1 UNL1 -0.2733
10 C 9.1300 23.9867 28.9480 C.3 1 UNL1 0.0964
11 O 6.0666 26.6817 31.2026 O.3 1 UNL1 -0.2184
12 C 2.9020 29.1517 28.1244 C.3 1 UNL1 0.2141
13 O 1.6013 28.7601 28.7876 O.3 1 UNL1 -0.2176
14 O 3.5001 28.2313 30.6524 O.3 1 UNL1 -0.3264
15 C 3.1378 27.7802 31.9864 C.3 1 UNL1 0.2586
16 C 2.4087 26.4444 32.0971 C.3 1 UNL1 0.1842
17 C 1.9332 26.2424 33.5007 C.3 1 UNL1 0.2094
18 C 3.0386 26.5948 34.5407 C.3 1 UNL1 0.2136
19 C 3.8193 27.8915 34.2420 C.3 1 UNL1 0.1834
20 O 4.2614 27.8936 32.8823 O.3 1 UNL1 -0.3262
21 N 1.2307 26.5710 31.1210 N.am 1 UNL1 -0.1992
22 C 1.0706 25.7636 30.0554 C.2 1 UNL1 0.2420
23 O 1.9391 25.1341 29.6360 O.2 1 UNL1 -0.2733
24 C -0.3098 25.7478 29.4952 C.3 1 UNL1 0.0964
25 O 2.4170 26.7774 35.8572 O.3 1 UNL1 -0.2176
26 O 1.5961 24.8512 33.6675 O.3 1 UNL1 -0.2183
27 C 5.0827 27.9867 35.0870 C.3 1 UNL1 0.2142
28 O 4.8483 28.6511 36.3655 O.3 1 UNL1 -0.2176
29 O 6.6493 26.7989 26.2688 O.3 1 UNL1 -0.3264
30 C 5.8007 24.7887 22.7515 C.3 1 UNL1 0.2917
31 C 5.3944 23.9802 24.0097 C.3 1 UNL1 0.1870
32 C 5.4445 24.8777 25.2286 C.3 1 UNL1 0.2063
33 C 6.8267 25.6194 25.2457 C.3 1 UNL1 0.1795
34 C 7.3390 26.1739 23.9088 C.3 1 UNL1 0.1803
35 O 7.2415 25.0916 22.9105 O.3 1 UNL1 -0.3243
36 N 4.0472 23.4119 23.8073 N.am 1 UNL1 -0.1991
37 C 3.5318 22.4096 24.5611 C.2 1 UNL1 0.2420
38 O 4.1489 21.9158 25.3895 O.2 1 UNL1 -0.2733
39 C 2.1346 22.0497 24.2030 C.3 1 UNL1 0.0964
40 O 5.3486 24.1463 26.4598 O.3 1 UNL1 -0.2184
41 O 5.7447 23.8549 21.6787 O.3 1 UNL1 -0.1879
42 C 8.7868 26.5977 23.9535 C.3 1 UNL1 0.2141
43 O 9.3630 26.5937 25.3426 O.3 1 UNL1 -0.2176
@<TRIPOS>BOND
1 1 29 1
2 1 2 1
3 1 6 1
4 2 7 1
5 2 3 1
6 3 11 1
7 3 4 1
8 4 14 1
9 4 5 1
10 5 6 1
11 5 12 1
12 7 8 am
13 8 9 2
14 8 10 1
15 12 13 1
16 15 14 1
17 15 16 1
18 15 20 1
19 16 21 1
20 16 17 1
21 17 26 1
22 17 18 1
23 18 25 1
24 18 19 1
25 19 20 1
26 19 27 1
27 21 22 am
28 22 23 2
29 22 24 1
30 27 28 1
31 30 41 1
32 30 31 1
33 30 35 1
34 31 36 1
35 31 32 1
36 32 40 1
37 32 33 1
38 33 29 1
39 33 34 1
40 34 35 1
41 34 42 1
42 36 37 am
43 37 38 2
44 37 39 1
45 42 43 1
@<TRIPOS>MOLECULE
*****
43 45 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 C 6.8531 24.1851 26.8565 C.3 1 UNL1 0.2586
2 C 7.6590 25.4521 27.5241 C.3 1 UNL1 0.1841
3 C 6.9591 25.8275 28.8682 C.3 1 UNL1 0.2062
4 C 5.4532 26.0212 28.4610 C.3 1 UNL1 0.1795
5 C 4.8050 24.6811 27.8583 C.3 1 UNL1 0.1803
6 O 5.4507 24.5221 26.5340 O.3 1 UNL1 -0.3263
7 N 9.0642 25.1342 27.7981 N.am 1 UNL1 -0.1992
8 C 10.0814 26.0250 27.6885 C.2 1 UNL1 0.2420
9 O 9.9147 27.0902 27.2879 O.2 1 UNL1 -0.2733
10 C 11.4103 25.5083 28.1318 C.3 1 UNL1 0.0964
11 O 7.5652 27.0255 29.3831 O.3 1 UNL1 -0.2184
12 C 3.3256 24.8668 27.6632 C.3 1 UNL1 0.2141
13 O 2.9036 23.8884 26.5910 O.3 1 UNL1 -0.2176
14 O 4.5845 26.4143 29.5650 O.3 1 UNL1 -0.3264
15 C 4.1091 27.6433 30.1798 C.3 1 UNL1 0.2586
16 C 2.9137 27.5350 31.1218 C.3 1 UNL1 0.1842
17 C 2.4350 28.9031 31.4910 C.3 1 UNL1 0.2094
18 C 3.6171 29.8461 31.8664 C.3 1 UNL1 0.2136
19 C 4.8393 29.7574 30.9291 C.3 1 UNL1 0.1834
20 O 5.2093 28.3899 30.7366 O.3 1 UNL1 -0.3262
21 N 1.8565 26.7734 30.3103 N.am 1 UNL1 -0.1992
22 C 0.8431 26.0938 30.8799 C.2 1 UNL1 0.2420
23 O 0.8667 25.7886 31.9902 O.2 1 UNL1 -0.2733
24 C -0.2934 25.7979 29.9633 C.3 1 UNL1 0.0964
25 O 3.1544 31.2376 31.8159 O.3 1 UNL1 -0.2176
26 O 1.5789 28.7860 32.6443 O.3 1 UNL1 -0.2183
27 C 6.0592 30.4329 31.5413 C.3 1 UNL1 0.2142
28 O 7.0971 29.4760 31.9135 O.3 1 UNL1 -0.2176
29 O 7.5242 23.8068 25.5971 O.3 1 UNL1 -0.3264
30 C 7.9596 24.1698 21.4969 C.3 1 UNL1 0.2917
31 C 8.7602 25.2441 22.2758 C.3 1 UNL1 0.1870
32 C 8.8076 24.8769 23.7445 C.3 1 UNL1 0.2063
33 C 7.3500 24.5536 24.2254 C.3 1 UNL1 0.1795