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SM33_micro000.mol2
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@<TRIPOS>MOLECULE
*****
41 43 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 3.5584 3.8397 -4.5120 C.ar 1 <0> -0.1500
2 C2 -4.9994 -3.4255 -2.6663 C.ar 1 <0> -0.1500
3 C3 3.6758 4.0329 -3.1356 C.ar 1 <0> -0.1500
4 C4 2.4997 3.0889 -5.0231 C.ar 1 <0> -0.1500
5 C5 -4.9182 -2.1808 -3.2905 C.ar 1 <0> -0.1500
6 C6 -3.8795 -3.9611 -2.0301 C.ar 1 <0> -0.1500
7 C7 2.7347 3.4752 -2.2702 C.ar 1 <0> -0.1500
8 C8 1.5586 2.5312 -4.1577 C.ar 1 <0> -0.1500
9 C9 -3.7171 -1.4717 -3.2787 C.ar 1 <0> -0.1500
10 C10 -2.6784 -3.2520 -2.0183 C.ar 1 <0> -0.1500
11 C11 1.6761 2.7243 -2.7813 C.ar 1 <0> -0.1435
12 C12 -2.5972 -2.0073 -2.6426 C.ar 1 <0> -0.0090
13 C13 -0.1715 0.9776 0.8472 C.3 1 <0> 0.2170
14 C14 0.6184 -1.0778 0.3935 C.3 1 <0> 0.2170
15 C15 0.0544 0.1189 -0.4390 C.3 1 <0> 0.3070
16 C16 0.6585 2.1209 -1.8463 C.3 1 <0> 0.1435
17 C17 1.0728 0.7181 -1.4030 C.3 1 <0> 0.0000
18 N1 -1.2060 -0.1922 -1.2299 N.pl3 1 <0> -0.8650
19 O1 0.0079 -2.0667 -2.5004 O.2 1 <0> -0.6500
20 O2 -1.1113 -0.1992 -3.7591 O.2 1 <0> -0.6500
21 S1 -0.3680 -0.5446 1.8312 S.3 1 <0> -0.4340
22 S2 -1.0743 -1.1098 -2.6308 S.o2 1 <0> 1.4470
23 H1 4.2905 4.2752 -5.1857 H 1 <0> 0.1500
24 H2 -5.9342 -3.9785 -2.6756 H 1 <0> 0.1500
25 H3 4.4995 4.6185 -2.7375 H 1 <0> 0.1500
26 H4 2.4073 2.9392 -6.0947 H 1 <0> 0.1500
27 H5 -5.7896 -1.7639 -3.7868 H 1 <0> 0.1500
28 H6 -3.9429 -4.9305 -1.5448 H 1 <0> 0.1500
29 H7 2.8343 3.6308 -1.1992 H 1 <0> 0.1500
30 H8 0.7372 1.9475 -4.5648 H 1 <0> 0.1500
31 H9 -3.6645 -0.5032 -3.7689 H 1 <0> 0.1500
32 H10 -1.8119 -3.6793 -1.5209 H 1 <0> 0.1500
33 H11 0.6900 1.5795 1.1576 H 1 <0> 0.0000
34 H12 -1.0508 1.6286 0.8207 H 1 <0> 0.0000
35 H13 0.3703 -2.0700 0.0042 H 1 <0> 0.0000
36 H14 1.6981 -1.0437 0.5777 H 1 <0> 0.0000
37 H15 0.5322 2.7679 -0.9685 H 1 <0> 0.0000
38 H16 -0.3214 2.0823 -2.3396 H 1 <0> 0.0000
39 H17 1.1699 0.0574 -2.2712 H 1 <0> 0.0000
40 H18 2.0512 0.7471 -0.9116 H 1 <0> 0.0000
41 H19 -2.0427 -0.1788 -0.6710 H 1 <0> 0.4200
@<TRIPOS>BOND
1 1 3 ar
2 1 4 ar
3 2 5 ar
4 2 6 ar
5 3 7 ar
6 4 8 ar
7 5 9 ar
8 6 10 ar
9 7 11 ar
10 8 11 ar
11 9 12 ar
12 10 12 ar
13 11 16 1
14 12 22 1
15 13 15 1
16 13 21 1
17 14 15 1
18 14 21 1
19 15 17 1
20 15 18 1
21 16 17 1
22 18 22 1
23 19 22 2
24 20 22 2
25 1 23 1
26 2 24 1
27 3 25 1
28 4 26 1
29 5 27 1
30 6 28 1
31 7 29 1
32 8 30 1
33 9 31 1
34 10 32 1
35 13 33 1
36 13 34 1
37 14 35 1
38 14 36 1
39 16 37 1
40 16 38 1
41 17 39 1
42 17 40 1
43 18 41 1