@<TRIPOS>MOLECULE
FDBD03213
23 24 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C -0.0185 1.5027 -0.0106 C.3 1 UNK -0.0014
2 C1 0.0021 -0.0041 0.0020 C.2 1 UNK 0.1607
3 O 1.0613 -0.5965 0.0056 O.2 1 UNK -0.2923
4 C2 -1.2552 -0.7529 0.0100 C.ar 1 UNK 0.0265
5 C3 -2.4764 -0.0888 0.1241 C.ar 1 UNK -0.0471
6 C4 -3.6640 -0.7980 0.1315 C.ar 1 UNK -0.0174
7 C5 -3.6880 -2.1730 0.0282 C.ar 1 UNK 0.1427
8 C6 -2.4847 -2.9058 -0.0902 C.ar 1 UNK 0.1129
9 C7 -1.2541 -2.2111 -0.1076 C.ar 1 UNK 0.0144
10 C8 -0.0593 -2.9360 -0.2245 C.ar 1 UNK -0.0503
11 C9 -0.1385 -4.2984 -0.3176 C.ar 1 UNK -0.0430
12 C10 -1.3833 -4.9227 -0.2944 C.ar 1 UNK 0.0284
13 N -2.4962 -4.2372 -0.1909 N.ar 1 UNK -0.2513
14 O1 -4.8746 -2.8271 0.0406 O.3 1 UNK -0.5046
15 H 0.9853 1.8731 -0.0151 H 1 UNK 0.0309
16 H1 -0.5265 1.8598 0.8608 H 1 UNK 0.0309
17 H2 -0.5289 1.8451 -0.8865 H 1 UNK 0.0309
18 H3 -2.4941 0.9400 0.2036 H 1 UNK 0.0626
19 H4 -4.5553 -0.2848 0.2165 H 1 UNK 0.0655
20 H5 0.8537 -2.4552 -0.2398 H 1 UNK 0.0625
21 H6 0.7216 -4.8620 -0.4048 H 1 UNK 0.0633
22 H7 -1.4309 -5.9515 -0.3604 H 1 UNK 0.0830
23 H8 -5.6744 -2.3452 0.1189 H 1 UNK 0.2922
@<TRIPOS>BOND
1 1 2 1
2 2 3 2
3 2 4 1
4 4 9 ar
5 4 5 ar
6 5 6 ar
7 6 7 ar
8 7 8 ar
9 7 14 1
10 8 13 ar
11 8 9 ar
12 9 10 ar
13 10 11 ar
14 11 12 ar
15 12 13 ar
16 1 15 1
17 1 16 1
18 1 17 1
19 5 18 1
20 6 19 1
21 10 20 1
22 11 21 1
23 12 22 1
24 14 23 1