@<TRIPOS>MOLECULE
DB07398
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2866     0.4397     0.1521	S.3	1	noname	-0.2097
2	C1     2.2873     2.0297    -0.6167	C.2	1	noname	0.0765
3	C2     1.3792    -0.4838    -1.0520	C.2	1	noname	0.0115
4	N1     2.8001     3.1797    -0.1581	N.3	1	noname	-0.1125
5	C3     1.6202     1.7915    -1.8228	C.2	1	noname	0.0411
6	C4     1.1347     0.4800    -2.0432	C.2	1	noname	0.0074
7	C5     0.8550    -1.8790    -1.0422	C.3	1	noname	0.0308
8	C6     2.8567     3.4091     1.1609	C.2	1	noname	0.1348
9	C7     1.4417     2.7986    -2.7640	C.2	1	noname	0.0224
10	C8     0.3280     0.1356    -3.2442	C.3	1	noname	0.0204
11	C9    -0.5605    -1.8825    -1.7130	C.3	1	noname	-0.0481
12	O1     2.4313     2.5504     1.9635	O.2	1	noname	-0.2742
13	C10     3.4154     4.6620     1.6606	C.3	1	noname	0.0331
14	O2     2.2815     3.7194    -2.8611	O.2	1	noname	-0.2945
15	N2     0.3693     2.7824    -3.5674	N.3	1	noname	-0.0857
16	C11    -0.7023    -1.0101    -3.0121	C.3	1	noname	-0.0488
17	C12     3.3623     4.6702     3.1897	C.3	1	noname	-0.0414
18	C13     4.6794     4.3693     2.4715	C.3	1	noname	-0.0414
19	H1     3.1438     3.8735    -0.8066	H	1	noname	0.1379
20	H2     1.5259    -2.4592    -1.6758	H	1	noname	0.0324
21	H3     0.7278    -2.1476     0.0065	H	1	noname	0.0324
22	H4    -0.2482     1.0350    -3.4615	H	1	noname	0.0316
23	H5     1.0514    -0.2367    -3.9697	H	1	noname	0.0316
24	H6    -0.7254    -2.9111    -2.0339	H	1	noname	0.0270
25	H7    -1.2277    -1.4261    -0.9818	H	1	noname	0.0270
26	H8     3.1293     5.3364     0.8535	H	1	noname	0.0397
27	H9    -0.0480     3.6509    -3.8702	H	1	noname	0.1274
28	H10    -0.0216     1.9017    -3.8702	H	1	noname	0.1274
29	H11    -1.6617    -0.5030    -2.9096	H	1	noname	0.0270
30	H12    -0.5372    -1.7023    -3.8377	H	1	noname	0.0270
31	H13     3.2920     5.6537     3.6543	H	1	noname	0.0274
32	H14     2.8690     3.8138     3.6494	H	1	noname	0.0274
33	H15     4.9987     3.3273     2.4882	H	1	noname	0.0274
34	H16     5.4216     5.1673     2.4930	H	1	noname	0.0274
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	1
8	5	9	1
9	5	6	1
10	6	10	1
11	7	11	1
12	8	12	2
13	8	13	1
14	9	14	2
15	9	15	1
16	10	16	1
17	11	16	1
18	13	17	1
19	13	18	1
20	17	18	1
21	4	19	1
22	7	20	1
23	7	21	1
24	10	22	1
25	10	23	1
26	11	24	1
27	11	25	1
28	13	26	1
29	15	27	1
30	15	28	1
31	16	29	1
32	16	30	1
33	17	31	1
34	17	32	1
35	18	33	1
36	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1