@<TRIPOS>MOLECULE
FDBD00673
30 31 0 0 0
SMALL
GASTEIGER
@<TRIPOS>ATOM
1 O 1.3923 -0.5531 -1.0023 O.3 1 UNK -0.3078
2 O1 1.8880 2.3434 1.0678 O.3 1 UNK -0.3802
3 O2 3.8653 1.0931 -0.3151 O.3 1 UNK -0.3862
4 O3 1.8679 -3.2215 -0.2838 O.3 1 UNK -0.3924
5 O4 -3.4406 -1.8540 0.5635 O.2 1 UNK -0.2669
6 N -0.4685 0.7913 -0.4022 N.ar 1 UNK -0.0643
7 N1 -1.1659 -0.3029 -0.0614 N.ar 1 UNK -0.1361
8 N2 -2.5350 1.5008 -0.3852 N.ar 1 UNK -0.1642
9 N3 -4.8037 -0.0596 0.2197 N.am 1 UNK -0.3227
10 C 3.0429 0.2641 0.5061 C.3 1 UNK 0.1184
11 C1 1.7292 0.9690 0.7805 C.3 1 UNK 0.1750
12 C2 2.5982 -0.9473 -0.3074 C.3 1 UNK 0.1170
13 C3 0.9865 0.7451 -0.5279 C.3 1 UNK 0.3192
14 C4 2.2793 -2.1586 0.5578 C.3 1 UNK 0.0732
15 C5 -1.2891 1.8588 -0.5931 C.ar 1 UNK 0.2955
16 C6 -2.4105 0.1792 -0.0652 C.ar 1 UNK 0.2518
17 C7 -3.5364 -0.6477 0.2482 C.2 1 UNK 0.2821
18 H 2.3643 2.4454 1.9066 H 1 UNK 0.2103
19 H1 4.1538 1.8672 0.1932 H 1 UNK 0.2100
20 H2 1.6615 -4.0003 0.2564 H 1 UNK 0.2095
21 H3 -0.8468 -1.2128 0.1372 H 1 UNK 0.2387
22 H4 -5.6009 -0.5977 0.4297 H 1 UNK 0.1454
23 H5 -4.8993 0.8928 -0.0104 H 1 UNK 0.1454
24 H6 3.5972 0.0245 1.3894 H 1 UNK 0.0649
25 H7 1.2223 0.5966 1.6461 H 1 UNK 0.0716
26 H8 3.3928 -1.2338 -0.9642 H 1 UNK 0.0648
27 H9 1.2340 1.5367 -1.2039 H 1 UNK 0.1468
28 H10 3.1512 -2.4496 1.1055 H 1 UNK 0.0584
29 H11 1.4991 -1.9178 1.2493 H 1 UNK 0.0584
30 H12 -0.9796 2.8062 -0.8607 H 1 UNK 0.1644
@<TRIPOS>BOND
1 1 12 1
2 1 13 1
3 2 11 1
4 3 10 1
5 4 14 1
6 5 17 2
7 6 7 ar
8 6 13 1
9 6 15 ar
10 7 16 ar
11 8 15 ar
12 8 16 ar
13 9 17 am
14 10 11 1
15 10 12 1
16 11 13 1
17 12 14 1
18 16 17 1
19 2 18 1
20 3 19 1
21 4 20 1
22 7 21 1
23 9 22 1
24 9 23 1
25 10 24 1
26 11 25 1
27 12 26 1
28 13 27 1
29 14 28 1
30 14 29 1
31 15 30 1