@<TRIPOS>MOLECULE
DB02599
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.8478    -1.7292     1.0776	S.3	1	noname	-0.1570
2	C1     2.3176    -1.1030    -0.5245	C.3	1	noname	0.0207
3	C2     3.8193    -3.2266     0.8450	C.3	1	noname	-0.0066
4	C3     1.5296     0.1115    -0.3358	C.2	1	noname	0.0034
5	C4     4.2699    -3.7589     2.2067	C.3	1	noname	-0.0470
6	C5     0.1135     0.0567    -0.1660	C.2	1	noname	0.0118
7	C6     2.1428     1.3914    -0.3142	C.2	1	noname	-0.0327
8	C7     5.0957    -5.0316     2.0090	C.3	1	noname	-0.0646
9	N1    -0.5144    -1.1562    -0.1806	N.2	1	noname	-0.2275
10	C8    -0.6518     1.2798     0.0206	C.2	1	noname	0.0282
11	C9     1.3764     2.5860    -0.1297	C.2	1	noname	-0.0142
12	C10    -1.8659    -1.2392    -0.0209	C.2	1	noname	-0.0867
13	C11    -2.0497     1.1570     0.1830	C.2	1	noname	0.0547
14	C12    -0.0344     2.5530     0.0411	C.2	1	noname	-0.0138
15	N2     2.0064     3.7686    -0.1176	N.3	1	noname	-0.1540
16	N3    -2.5945    -0.0919     0.1554	N.3	1	noname	0.0410
17	N4    -2.4764    -2.4320    -0.0362	N.3	1	noname	-0.1247
18	O1    -2.7677     2.1669     0.3477	O.2	1	noname	-0.2876
19	H1     3.1778    -0.7524    -1.0948	H	1	noname	0.0431
20	H2     1.6051    -1.7906    -0.9802	H	1	noname	0.0431
21	H3     3.1796    -4.0174     0.4532	H	1	noname	0.0380
22	H4     4.7523    -2.9793     0.3386	H	1	noname	0.0380
23	H5     4.9405    -3.0113     2.6305	H	1	noname	0.0272
24	H6     3.3678    -4.0495     2.7452	H	1	noname	0.0272
25	H7     3.2232     1.4582    -0.4419	H	1	noname	0.0643
26	H8     5.3641    -5.4453     2.9811	H	1	noname	0.0231
27	H9     4.5090    -5.7625     1.4525	H	1	noname	0.0231
28	H10     6.0022    -4.7937     1.4525	H	1	noname	0.0231
29	H11    -0.6169     3.4635     0.1816	H	1	noname	0.0648
30	H12     3.0158     3.8031    -0.1130	H	1	noname	0.1242
31	H13     1.4718     4.6256    -0.1130	H	1	noname	0.1242
32	H14    -3.5945    -0.1718     0.2722	H	1	noname	0.1400
33	H15    -3.4851    -2.4830    -0.0419	H	1	noname	0.1268
34	H16    -1.9278    -3.2800    -0.0419	H	1	noname	0.1268
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	6	9	1
9	6	10	1
10	7	11	2
11	9	12	2
12	10	13	1
13	10	14	2
14	11	15	1
15	11	14	1
16	12	16	1
17	12	17	1
18	13	18	2
19	13	16	1
20	2	19	1
21	2	20	1
22	3	21	1
23	3	22	1
24	5	23	1
25	5	24	1
26	7	25	1
27	8	26	1
28	8	27	1
29	8	28	1
30	14	29	1
31	15	30	1
32	15	31	1
33	16	32	1
34	17	33	1
35	17	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1