@<TRIPOS>MOLECULE
DB02321
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.1630    -0.4285    -2.1234	S.3	1	noname	-0.1590
2	C1     0.6113    -0.2168    -1.9066	C.3	1	noname	0.0225
3	C2    -1.5757    -0.2831    -3.8694	C.3	1	noname	-0.0046
4	C3     0.9629    -0.3407    -0.4192	C.3	1	noname	0.0985
5	C4    -3.0838    -0.4630    -4.0537	C.3	1	noname	-0.0192
6	O1     0.5988    -1.6095     0.1090	O.3	1	noname	-0.3430
7	C5     2.4654    -0.2527    -0.1729	C.3	1	noname	0.1120
8	C6    -3.4347    -0.3394    -5.5378	C.3	1	noname	0.0920
9	C7     1.2210    -1.5704     1.3906	C.3	1	noname	0.1837
10	O2     2.8516     1.1110    -0.0854	O.3	1	noname	-0.3873
11	C8     2.5833    -0.9062     1.2071	C.3	1	noname	0.1331
12	N1    -4.8758    -0.5113    -5.7139	N.3	1	noname	-0.3194
13	C9    -2.7259    -1.3686    -6.2928	C.2	1	noname	0.1437
14	O3     1.4008    -2.8949     1.8701	O.3	1	noname	-0.3656
15	O4     2.7562     0.0999     2.1941	O.3	1	noname	-0.3849
16	O5    -1.9256    -1.0418    -7.1956	O.2	1	noname	-0.2496
17	O6    -2.9350    -2.6732    -6.0158	O.3	1	noname	-0.2140
18	H1     1.1356    -1.0521    -2.3709	H	1	noname	0.0408
19	H2     0.8877     0.8073    -2.1575	H	1	noname	0.0408
20	H3    -1.3911     0.7383    -4.2025	H	1	noname	0.0381
21	H4    -1.1432    -1.1211    -4.4160	H	1	noname	0.0381
22	H5     0.3905     0.4283     0.0995	H	1	noname	0.0641
23	H6    -3.3169    -1.4863    -3.7594	H	1	noname	0.0296
24	H7    -3.5648     0.3731    -3.5460	H	1	noname	0.0296
25	H8     3.1072    -0.6525    -0.9580	H	1	noname	0.0657
26	H9    -3.1546     0.6327    -5.9436	H	1	noname	0.0571
27	H10     0.5607    -1.0686     2.0980	H	1	noname	0.0949
28	H11     2.9235     1.3646     0.8377	H	1	noname	0.2106
29	H12     3.4435    -1.5613     1.3449	H	1	noname	0.0682
30	H13    -5.4772     0.2979    -5.7747	H	1	noname	0.1191
31	H14    -5.2700    -1.4392    -5.7747	H	1	noname	0.1191
32	H15     1.4002    -2.8905     2.8300	H	1	noname	0.2134
33	H16     2.6886    -0.2934     3.0672	H	1	noname	0.2108
34	H17    -2.9551    -2.7991    -5.0643	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	4	2	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	1
10	7	11	1
11	8	12	1
12	8	13	1
13	9	14	1
14	9	11	1
15	11	15	1
16	13	16	2
17	13	17	1
18	2	18	1
19	2	19	1
20	3	20	1
21	3	21	1
22	4	22	1
23	5	23	1
24	5	24	1
25	7	25	1
26	8	26	1
27	9	27	1
28	10	28	1
29	11	29	1
30	12	30	1
31	12	31	1
32	14	32	1
33	15	33	1
34	17	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1