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Create four_hydrosulfonylmorpholine.mol2
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@Sulstice
Sulstice committed Apr 6, 2022
1 parent 69e9ee7 commit 896c93b
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@<TRIPOS>MOLECULE
*****
17 17 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
1 S 0.9360 -0.1207 0.2273 S.3 1 LIG1 0.1692
2 O 0.6617 -1.2926 1.1337 O.2 1 LIG1 -0.1338
3 O 0.6552 1.2462 0.7955 O.2 1 LIG1 -0.1338
4 N 2.5930 -0.1685 -0.1647 N.3 1 LIG1 -0.1554
5 C 3.1782 -1.4698 -0.6130 C.3 1 LIG1 0.0453
6 C 3.0110 -1.6293 -2.1306 C.3 1 LIG1 0.0621
7 O 3.5970 -0.5279 -2.8434 O.3 1 LIG1 -0.3771
8 C 3.0034 0.7196 -2.4487 C.3 1 LIG1 0.0621
9 C 3.1701 0.9705 -0.9434 C.3 1 LIG1 0.0453
10 H 2.7344 -2.3184 -0.0834 H 1 LIG1 0.0467
11 H 4.2461 -1.4522 -0.3626 H 1 LIG1 0.0467
12 H 1.9543 -1.7100 -2.4108 H 1 LIG1 0.0573
13 H 3.5144 -2.5422 -2.4641 H 1 LIG1 0.0573
14 H 1.9465 0.7162 -2.7394 H 1 LIG1 0.0573
15 H 3.5013 1.5141 -3.0134 H 1 LIG1 0.0573
16 H 2.7201 1.9265 -0.6583 H 1 LIG1 0.0467
17 H 4.2379 1.0273 -0.6981 H 1 LIG1 0.0467
@<TRIPOS>BOND
1 1 2 2
2 1 3 2
3 1 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 4 9 1
10 5 10 1
11 5 11 1
12 6 12 1
13 6 13 1
14 8 14 1
15 8 15 1
16 9 16 1
17 9 17 1

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