@<TRIPOS>MOLECULE
DB01874
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1031    -2.9345     0.9691	O.2	1	noname	-0.2984
2	C1     1.2486    -1.7454     0.6122	C.2	1	noname	0.1347
3	C2     0.2693    -0.6143     1.1212	C.3	1	noname	0.0218
4	C3     2.4250    -1.3200    -0.3691	C.3	1	noname	0.0218
5	C4     0.2349     0.6407     0.1713	C.3	1	noname	0.0166
6	C5     2.1587     0.0637    -1.0713	C.3	1	noname	0.0166
7	N1     1.6325     1.0479    -0.0985	N.3	1	noname	-0.2995
8	C6    -0.2828     0.3278    -1.2419	C.3	1	noname	-0.0356
9	C7     1.0004     0.0734    -2.0921	C.3	1	noname	-0.0356
10	C8     1.6443     2.3809    -0.6990	C.3	1	noname	-0.0127
11	H1    -0.7320    -1.0434     1.0872	H	1	noname	0.0362
12	H2     0.6797    -0.2625     2.0678	H	1	noname	0.0362
13	H3     3.3061    -1.1734     0.2557	H	1	noname	0.0362
14	H4     2.4404    -2.0621    -1.1673	H	1	noname	0.0362
15	H5    -0.3693     1.4076     0.6559	H	1	noname	0.0471
16	H6     3.1191     0.3276    -1.5143	H	1	noname	0.0471
17	H7    -0.8408    -0.6070    -1.1873	H	1	noname	0.0283
18	H8    -0.7646     1.2288    -1.6216	H	1	noname	0.0283
19	H9     1.1450     0.9336    -2.7457	H	1	noname	0.0283
20	H10     0.9277    -0.9278    -2.5168	H	1	noname	0.0283
21	H11     1.6510     3.1342     0.0888	H	1	noname	0.0394
22	H12     2.5353     2.4932    -1.3167	H	1	noname	0.0394
23	H13     0.7554     2.5090    -1.3167	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	1
9	6	7	1
10	7	10	1
11	8	9	1
12	3	11	1
13	3	12	1
14	4	13	1
15	4	14	1
16	5	15	1
17	6	16	1
18	8	17	1
19	8	18	1
20	9	19	1
21	9	20	1
22	10	21	1
23	10	22	1
24	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1