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SM31_micro002.mol2
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@<TRIPOS>MOLECULE
*****
40 41 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -0.5914 -1.0799 -7.8267 C.ar 1 <0> -0.1500
2 C2 -0.9877 -0.2017 -6.8181 C.ar 1 <0> -0.1500
3 C3 -0.0607 -2.3271 -7.4967 C.ar 1 <0> -0.1500
4 C4 -0.8532 -0.5705 -5.4796 C.ar 1 <0> -0.1500
5 C5 0.0738 -2.6958 -6.1583 C.ar 1 <0> -0.1500
6 C6 -0.3225 -1.8176 -5.1497 C.ar 1 <0> -0.1435
7 C7 2.7667 -2.2088 -1.1556 C.3 1 <0> 0.2579
8 C8 1.3589 -3.6937 -1.4031 C.3 1 <0> 0.2579
9 C9 1.3191 -2.1804 -1.6742 C.3 1 <0> 0.3070
10 C10 0.1305 -0.2456 2.0273 C.3 1 <0> 0.5030
11 C11 -0.3734 2.0713 1.2513 C.3 1 <0> 0.5030
12 C12 -0.1766 -2.2168 -3.7029 C.3 1 <0> 0.1435
13 C13 1.1848 -1.8022 -3.1419 C.3 1 <0> 0.0000
14 N1 0.3401 -1.3883 -0.8613 N.pl3 1 <0> -0.8650
15 N2 -0.3809 0.6121 0.9087 N.4 1 <0> -0.8290
16 O1 1.8961 0.5620 -0.2322 O.2 1 <0> -0.6500
17 O2 -0.1680 1.0387 -1.6096 O.2 1 <0> -0.6500
18 O3 2.7909 -3.6566 -1.1885 O.3 1 <0> -0.5158
19 S1 0.5075 0.2996 -0.5600 S.o2 1 <0> 1.8110
20 H1 -0.6974 -0.7932 -8.8688 H 1 <0> 0.1500
21 H2 -1.4019 0.7689 -7.0748 H 1 <0> 0.1500
22 H3 0.2470 -3.0115 -8.2817 H 1 <0> 0.1500
23 H4 -1.1645 0.1204 -4.7004 H 1 <0> 0.1500
24 H5 0.4884 -3.6694 -5.9106 H 1 <0> 0.1500
25 H6 3.5247 -1.7765 -1.8155 H 1 <0> 0.0000
26 H7 2.9207 -1.8384 -0.1369 H 1 <0> 0.0000
27 H8 0.8369 -4.0347 -0.5027 H 1 <0> 0.0000
28 H9 1.0924 -4.3416 -2.2434 H 1 <0> 0.0000
29 H10 1.1614 0.0502 2.2305 H 1 <0> 0.0000
30 H11 -0.5059 -0.0742 2.8976 H 1 <0> 0.0000
31 H12 0.0779 -1.2861 1.7014 H 1 <0> 0.0000
32 H13 0.6588 2.3607 1.4568 H 1 <0> 0.0000
33 H14 -0.7712 2.6178 0.3941 H 1 <0> 0.0000
34 H15 -1.0029 2.2108 2.1322 H 1 <0> 0.0000
35 H16 -0.9788 -1.7591 -3.1095 H 1 <0> 0.0000
36 H17 -0.3054 -3.3023 -3.6029 H 1 <0> 0.0000
37 H18 1.9903 -2.2823 -3.7102 H 1 <0> 0.0000
38 H19 1.3238 -0.7197 -3.2466 H 1 <0> 0.0000
39 H20 -0.6307 -1.7070 -0.9849 H 1 <0> 0.4200
40 H21 -1.3530 0.3360 0.7143 H 1 <0> 0.4500
@<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
40 14 39 1
41 15 40 1