@<TRIPOS>MOLECULE
FDBD03205
30 31 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C 0.0054 1.1939 1.8659 C.3 1 UNK -0.0022
2 C1 0.0202 -0.2168 1.4456 C.1 1 UNK -0.0988
3 C2 0.0319 -1.3418 1.1104 C.1 1 UNK -0.0465
4 C3 0.0463 -2.7141 0.7015 C.ar 1 UNK 0.1187
5 C4 1.2587 -3.3759 0.4750 C.ar 1 UNK -0.0066
6 C5 1.2220 -4.7012 0.0819 C.ar 1 UNK 0.0445
7 C6 2.5014 -5.4555 -0.1732 C.3 1 UNK -0.0222
8 N 0.0509 -5.3005 -0.0676 N.ar 1 UNK -0.2194
9 C7 -1.0823 -4.6501 0.1535 C.ar 1 UNK 0.2208
10 N1 -2.2859 -5.3154 -0.0143 N.pl3 1 UNK -0.2836
11 C8 -3.4921 -4.6179 0.1007 C.ar 1 UNK 0.0336
12 C9 -3.5705 -3.2915 -0.3040 C.ar 1 UNK -0.0405
13 C10 -4.7637 -2.6056 -0.1896 C.ar 1 UNK -0.0600
14 C11 -5.8797 -3.2379 0.3273 C.ar 1 UNK -0.0616
15 C12 -5.8049 -4.5583 0.7316 C.ar 1 UNK -0.0600
16 C13 -4.6163 -5.2516 0.6145 C.ar 1 UNK -0.0405
17 N2 -1.0941 -3.3830 0.5359 N.ar 1 UNK -0.2058
18 H 0.9698 1.6261 1.6984 H 1 UNK 0.0362
19 H1 -0.2363 1.2535 2.9065 H 1 UNK 0.0362
20 H2 -0.7280 1.7275 1.2982 H 1 UNK 0.0362
21 H3 2.1588 -2.8863 0.5985 H 1 UNK 0.0663
22 H4 3.3367 -4.8092 -0.0016 H 1 UNK 0.0293
23 H5 2.5176 -5.7978 -1.1868 H 1 UNK 0.0293
24 H6 2.5583 -6.2951 0.4877 H 1 UNK 0.0293
25 H7 -2.2918 -6.2793 -0.2145 H 1 UNK 0.1550
26 H8 -2.7380 -2.8191 -0.6898 H 1 UNK 0.0636
27 H9 -4.8226 -1.6201 -0.4902 H 1 UNK 0.0618
28 H10 -6.7703 -2.7233 0.4115 H 1 UNK 0.0618
29 H11 -6.6382 -5.0261 1.1212 H 1 UNK 0.0618
30 H12 -4.5634 -6.2394 0.9084 H 1 UNK 0.0636
@<TRIPOS>BOND
1 1 2 1
2 2 3 3
3 3 4 1
4 4 17 ar
5 4 5 ar
6 5 6 ar
7 6 7 1
8 6 8 ar
9 8 9 ar
10 9 10 1
11 9 17 ar
12 10 11 1
13 11 16 ar
14 11 12 ar
15 12 13 ar
16 13 14 ar
17 14 15 ar
18 15 16 ar
19 1 18 1
20 1 19 1
21 1 20 1
22 5 21 1
23 7 22 1
24 7 23 1
25 7 24 1
26 10 25 1
27 12 26 1
28 13 27 1
29 14 28 1
30 15 29 1
31 16 30 1