@<TRIPOS>MOLECULE
FDBD03244
24 25 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C -0.0184 1.5028 0.0103 C.3 1 UNK -0.0369
2 C1 0.0021 -0.0041 0.0020 C.ar 1 UNK -0.0138
3 C2 0.0057 -0.6872 -1.2018 C.ar 1 UNK 0.0459
4 C3 0.0244 -2.0684 -1.2148 C.ar 1 UNK -0.0338
5 C4 0.0396 -2.7740 -0.0132 C.ar 1 UNK 0.0049
6 C5 0.0359 -2.0815 1.1960 C.ar 1 UNK -0.0338
7 C6 0.0229 -0.7002 1.1982 C.ar 1 UNK 0.0459
8 Cl 0.0183 0.1639 2.7039 Cl 1 UNK -0.0832
9 C7 0.0593 -4.2572 -0.0214 C.ar 1 UNK 0.0936
10 C8 0.0688 -4.9656 1.1845 C.ar 1 UNK -0.0289
11 C9 0.0871 -6.3481 1.1245 C.ar 1 UNK 0.0034
12 C10 0.0950 -6.9488 -0.1332 C.ar 1 UNK 0.2320
13 N 0.0849 -6.1986 -1.2237 N.ar 1 UNK -0.1112
14 N1 0.0624 -4.9163 -1.1721 N.ar 1 UNK -0.1458
15 O 0.1133 -8.3013 -0.2396 O.3 1 UNK -0.4914
16 Cl1 -0.0139 0.1932 -2.6979 Cl 1 UNK -0.0832
17 H -0.0184 1.8539 1.0210 H 1 UNK 0.0278
18 H1 -0.8992 1.8503 -0.4880 H 1 UNK 0.0278
19 H2 0.8479 1.8741 -0.4963 H 1 UNK 0.0278
20 H3 0.0271 -2.5769 -2.1128 H 1 UNK 0.0639
21 H4 0.0429 -2.5997 2.0884 H 1 UNK 0.0639
22 H5 0.0624 -4.4726 2.0911 H 1 UNK 0.0641
23 H6 0.0947 -6.9173 1.9853 H 1 UNK 0.0672
24 H7 0.1204 -8.8319 0.5326 H 1 UNK 0.2938
@<TRIPOS>BOND
1 1 2 1
2 2 7 ar
3 2 3 ar
4 3 4 ar
5 3 16 1
6 4 5 ar
7 5 6 ar
8 5 9 1
9 6 7 ar
10 7 8 1
11 9 14 ar
12 9 10 ar
13 10 11 ar
14 11 12 ar
15 12 13 ar
16 12 15 1
17 13 14 ar
18 1 17 1
19 1 18 1
20 1 19 1
21 4 20 1
22 6 21 1
23 10 22 1
24 11 23 1
25 15 24 1