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SM30_micro001.mol2
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@<TRIPOS>MOLECULE
*****
40 42 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -6.1274 -1.4791 2.3296 C.ar 1 <0> -0.1500
2 C2 -3.5760 -4.0797 -2.9075 C.ar 1 <0> -0.1500
3 C3 -5.8505 -0.2466 1.7382 C.ar 1 <0> -0.1500
4 C4 -5.0844 -2.3456 2.6571 C.ar 1 <0> -0.1500
5 C5 -3.7991 -2.7641 -2.5016 C.ar 1 <0> -0.1500
6 C6 -2.2838 -4.5048 -3.2161 C.ar 1 <0> -0.1500
7 C7 -4.5306 0.1194 1.4742 C.ar 1 <0> -0.1500
8 C8 -3.7646 -1.9796 2.3931 C.ar 1 <0> -0.1500
9 C9 -2.7301 -1.8733 -2.4045 C.ar 1 <0> -0.1500
10 C10 -1.2147 -3.6141 -3.1190 C.ar 1 <0> -0.1500
11 C11 -3.4877 -0.7471 1.8016 C.ar 1 <0> -0.1435
12 C12 -1.4379 -2.2983 -2.7132 C.ar 1 <0> -0.0090
13 C13 0.0196 1.0958 -0.5786 C.3 1 <0> 0.2579
14 C14 0.6870 -0.0197 1.0276 C.3 1 <0> 0.2579
15 C15 -0.1951 -0.3709 -0.1790 C.3 1 <0> -0.1440
16 C16 -2.0607 -0.3521 1.5162 C.3 1 <0> 0.1435
17 C17 -1.6164 -0.8012 0.1203 C.3 1 <0> 0.0000
18 N1 0.4736 -1.2964 -1.0926 N.2 1 <0> -0.3961
19 O1 -0.6887 0.1344 -2.9013 O.2 1 <0> -0.6500
20 O2 0.8568 -1.6293 -3.6228 O.2 1 <0> -0.6500
21 O3 0.6313 1.3924 0.7023 O.3 1 <0> -0.5158
22 S1 -0.0576 -1.1464 -2.5908 S.o2 1 <0> 0.8491
23 H1 -7.1550 -1.7634 2.5364 H 1 <0> 0.1500
24 H2 -4.4080 -4.7737 -2.9839 H 1 <0> 0.1500
25 H3 -6.6623 0.4286 1.4842 H 1 <0> 0.1500
26 H4 -5.2996 -3.3048 3.1186 H 1 <0> 0.1500
27 H5 -4.8052 -2.4325 -2.2622 H 1 <0> 0.1500
28 H6 -2.1105 -5.5290 -3.5328 H 1 <0> 0.1500
29 H7 -4.3243 1.0817 1.0129 H 1 <0> 0.1500
30 H8 -2.9585 -2.6611 2.6516 H 1 <0> 0.1500
31 H9 -2.9152 -0.8503 -2.0881 H 1 <0> 0.1500
32 H10 -0.2125 -3.9555 -3.3631 H 1 <0> 0.1500
33 H11 0.7180 1.2970 -1.3984 H 1 <0> 0.0000
34 H12 -0.8895 1.6860 -0.7314 H 1 <0> 0.0000
35 H13 0.2496 -0.2194 2.0111 H 1 <0> 0.0000
36 H14 1.7213 -0.3808 1.0161 H 1 <0> 0.0000
37 H15 -1.9523 0.7366 1.6066 H 1 <0> 0.0000
38 H16 -1.3966 -0.7880 2.2738 H 1 <0> 0.0000
39 H17 -1.6913 -1.8943 0.0380 H 1 <0> 0.0000
40 H18 -2.2914 -0.3836 -0.6393 H 1 <0> 0.0000
@<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