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SM31_micro001.mol2
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@<TRIPOS>MOLECULE
*****
38 39 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -6.4564 -0.8841 1.6226 C.ar 1 <0> -0.1500
2 C2 -6.1333 -0.2132 0.4432 C.ar 1 <0> -0.1500
3 C3 -5.4607 -1.1736 2.5556 C.ar 1 <0> -0.1500
4 C4 -4.8145 0.1683 0.1967 C.ar 1 <0> -0.1500
5 C5 -4.1418 -0.7921 2.3092 C.ar 1 <0> -0.1500
6 C6 -3.8187 -0.1212 1.1297 C.ar 1 <0> -0.1435
7 C7 0.0196 1.0958 -0.5786 C.3 1 <0> 0.2579
8 C8 0.6870 -0.0197 1.0276 C.3 1 <0> 0.2579
9 C9 -0.1951 -0.3709 -0.1790 C.3 1 <0> -0.1440
10 C10 -1.0615 -3.6884 -2.3519 C.3 1 <0> 0.3557
11 C11 -1.1274 -4.8030 -0.1528 C.3 1 <0> 0.3557
12 C12 -2.3927 0.2907 0.8638 C.3 1 <0> 0.1435
13 C13 -1.6164 -0.8012 0.1203 C.3 1 <0> 0.0000
14 N1 0.4736 -1.2964 -1.0926 N.2 1 <0> -0.3961
15 N2 -0.7951 -3.5562 -0.8939 N.pl3 1 <0> -0.8494
16 O1 1.7561 -3.5323 -1.0384 O.2 1 <0> -0.6500
17 O2 0.6795 -2.7462 1.0294 O.2 1 <0> -0.6500
18 O3 0.6313 1.3924 0.7023 O.3 1 <0> -0.5158
19 S1 0.6932 -2.7330 -0.4321 S.o2 1 <0> 0.9781
20 H1 -7.4836 -1.1799 1.8150 H 1 <0> 0.1500
21 H2 -6.9087 0.0132 -0.2828 H 1 <0> 0.1500
22 H3 -5.7121 -1.6949 3.4745 H 1 <0> 0.1500
23 H4 -4.5719 0.6905 -0.7250 H 1 <0> 0.1500
24 H5 -3.3726 -1.0219 3.0417 H 1 <0> 0.1500
25 H6 0.7180 1.2970 -1.3984 H 1 <0> 0.0000
26 H7 -0.8895 1.6860 -0.7314 H 1 <0> 0.0000
27 H8 0.2496 -0.2194 2.0111 H 1 <0> 0.0000
28 H9 1.7213 -0.3808 1.0161 H 1 <0> 0.0000
29 H10 -0.8029 -2.7474 -2.8593 H 1 <0> 0.0000
30 H11 -0.4516 -4.5063 -2.7633 H 1 <0> 0.0000
31 H12 -2.1272 -3.9099 -2.5112 H 1 <0> 0.0000
32 H13 -0.9160 -4.6615 0.9174 H 1 <0> 0.0000
33 H14 -2.1938 -5.0366 -0.2881 H 1 <0> 0.0000
34 H15 -0.5182 -5.6330 -0.5401 H 1 <0> 0.0000
35 H16 -2.3782 1.2190 0.2780 H 1 <0> 0.0000
36 H17 -1.8902 0.5212 1.8121 H 1 <0> 0.0000
37 H18 -1.6000 -1.7219 0.7196 H 1 <0> 0.0000
38 H19 -2.1278 -1.0494 -0.8198 H 1 <0> 0.0000
@<TRIPOS>BOND
1 1 2 ar
2 1 3 ar
3 2 4 ar
4 3 5 ar
5 4 6 ar
6 5 6 ar
7 6 12 1
8 7 9 1
9 7 18 1
10 8 9 1
11 8 18 1
12 9 13 1
13 9 14 1
14 10 15 1
15 11 15 1
16 12 13 1
17 14 19 1
18 15 19 1
19 16 19 2
20 17 19 2
21 1 20 1
22 2 21 1
23 3 22 1
24 4 23 1
25 5 24 1
26 7 25 1
27 7 26 1
28 8 27 1
29 8 28 1
30 10 29 1
31 10 30 1
32 10 31 1
33 11 32 1
34 11 33 1
35 11 34 1
36 12 35 1
37 12 36 1
38 13 37 1
39 13 38 1