@<TRIPOS>MOLECULE
FDBD03261
43 44 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0216
2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0238
3 C2 0.7173 -0.4974 -1.2578 C.3 1 UNK -0.0097
4 C3 0.7533 -2.0282 -1.2520 C.3 1 UNK -0.0432
5 C4 1.4554 -2.5095 0.0208 C.3 1 UNK -0.0123
6 C5 0.7188 -1.9579 1.2435 C.3 1 UNK -0.0317
7 N 0.7123 -0.4903 1.1918 N.4 1 UNK 0.2373
8 C6 0.1355 0.0772 2.4178 C.3 1 UNK -0.0285
9 C7 -1.3472 -0.2906 2.5015 C.3 1 UNK 0.0218
10 C8 -1.9480 0.3005 3.7785 C.3 1 UNK 0.0976
11 O -3.3552 -0.0486 3.8579 O.3 1 UNK -0.4610
12 C9 -4.0366 0.3983 4.9308 C.2 1 UNK 0.3392
13 O1 -3.4706 1.0614 5.7768 O.2 1 UNK -0.2450
14 C10 -5.4714 0.0821 5.0784 C.ar 1 UNK 0.0605
15 C11 -6.1235 -0.6850 4.1101 C.ar 1 UNK -0.0463
16 C12 -7.4632 -0.9777 4.2532 C.ar 1 UNK -0.0412
17 C13 -8.1631 -0.5129 5.3544 C.ar 1 UNK 0.0593
18 C14 -7.5224 0.2492 6.3187 C.ar 1 UNK 0.0600
19 C15 -6.1802 0.5438 6.1893 C.ar 1 UNK -0.0280
20 Cl -8.4079 0.8285 7.6949 Cl 1 UNK -0.0820
21 Cl1 -9.8498 -0.8858 5.5272 Cl 1 UNK -0.0820
22 H -0.5187 1.8709 0.8912 H 1 UNK 0.0284
23 H1 -0.5370 1.8802 -0.8560 H 1 UNK 0.0284
24 H2 0.9851 1.8962 0.0019 H 1 UNK 0.0284
25 H3 -1.0015 -0.3750 0.0100 H 1 UNK 0.0848
26 H4 1.7170 -0.1163 -1.2738 H 1 UNK 0.0320
27 H5 0.1933 -0.1542 -2.1253 H 1 UNK 0.0320
28 H6 1.2889 -2.3770 -2.1101 H 1 UNK 0.0269
29 H7 -0.2452 -2.4118 -1.2792 H 1 UNK 0.0269
30 H8 2.4668 -2.1602 0.0251 H 1 UNK 0.0317
31 H9 1.4497 -3.5791 0.0510 H 1 UNK 0.0317
32 H10 1.2154 -2.2810 2.1345 H 1 UNK 0.0814
33 H11 -0.2886 -2.3186 1.2451 H 1 UNK 0.0814
34 H12 1.6808 -0.1771 1.1256 H 1 UNK 0.2036
35 H13 0.2384 1.1421 2.4006 H 1 UNK 0.0815
36 H14 0.6494 -0.3171 3.2695 H 1 UNK 0.0815
37 H15 -1.4501 -1.3555 2.5187 H 1 UNK 0.0350
38 H16 -1.8611 0.1037 1.6498 H 1 UNK 0.0350
39 H17 -1.8451 1.3654 3.7613 H 1 UNK 0.0699
40 H18 -1.4341 -0.0938 4.6302 H 1 UNK 0.0699
41 H19 -5.6034 -1.0320 3.2891 H 1 UNK 0.0626
42 H20 -7.9456 -1.5444 3.5382 H 1 UNK 0.0633
43 H21 -5.7016 1.1040 6.9119 H 1 UNK 0.0641
@<TRIPOS>BOND
1 1 2 1
2 2 7 1
3 2 3 1
4 3 4 1
5 4 5 1
6 5 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 12 14 1
15 14 19 ar
16 14 15 ar
17 15 16 ar
18 16 17 ar
19 17 18 ar
20 17 21 1
21 18 19 ar
22 18 20 1
23 1 22 1
24 1 23 1
25 1 24 1
26 2 25 1
27 3 26 1
28 3 27 1
29 4 28 1
30 4 29 1
31 5 30 1
32 5 31 1
33 6 32 1
34 6 33 1
35 7 34 1
36 8 35 1
37 8 36 1
38 9 37 1
39 9 38 1
40 10 39 1
41 10 40 1
42 15 41 1
43 16 42 1
44 19 43 1