@<TRIPOS>MOLECULE
DB03071
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1960    -1.7613    -0.6819	O.2	1	noname	-0.2493
2	C1    -2.0098    -0.6180    -0.2123	C.2	1	noname	0.1442
3	O2    -2.6402     0.4454    -0.7548	O.3	1	noname	-0.2137
4	C2    -1.1106    -0.4325     0.9228	C.3	1	noname	0.1057
5	N1    -0.0611     0.4341     0.5544	N.3	1	noname	-0.0219
6	C3     1.1137     0.0704     0.0218	C.2	1	noname	-0.0308
7	C4    -0.0599     1.7714     0.6743	C.2	1	noname	-0.0419
8	O3     1.5021    -1.1921    -0.2571	O.3	1	noname	-0.2679
9	C5     1.8612     1.2213    -0.1926	C.2	1	noname	0.0386
10	N2     1.1087     2.2520     0.2204	N.2	1	noname	-0.2199
11	C6    -1.1542     2.5744     1.2122	C.3	1	noname	0.0584
12	C7     3.2054     1.2949    -0.7578	C.3	1	noname	0.0495
13	N3    -1.6165     3.5138     0.1918	N.3	1	noname	-0.3218
14	C8    -2.3079     1.6561     1.6203	C.3	1	noname	-0.0429
15	H1    -2.9751     1.0104    -0.0546	H	1	noname	0.2213
16	H2    -1.6716     0.0840     1.7016	H	1	noname	0.0582
17	H3    -0.6483    -1.3971     1.1328	H	1	noname	0.0582
18	H4     1.6491    -1.6701     0.5623	H	1	noname	0.2197
19	H5    -0.7712     3.1482     2.0561	H	1	noname	0.0541
20	H6     3.9371     1.3349     0.0491	H	1	noname	0.0297
21	H7     3.3899     0.4137    -1.3722	H	1	noname	0.0297
22	H8     3.2926     2.1910    -1.3722	H	1	noname	0.0297
23	H9    -0.9915     4.2246    -0.1607	H	1	noname	0.1190
24	H10    -2.5610     3.4520    -0.1607	H	1	noname	0.1190
25	H11    -2.3674     1.6088     2.7076	H	1	noname	0.0251
26	H12    -3.2433     2.0490     1.2220	H	1	noname	0.0251
27	H13    -2.1348     0.6564     1.2220	H	1	noname	0.0251
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	2
9	7	10	2
10	7	11	1
11	9	12	1
12	9	10	1
13	11	13	1
14	11	14	1
15	3	15	1
16	4	16	1
17	4	17	1
18	8	18	1
19	11	19	1
20	12	20	1
21	12	21	1
22	12	22	1
23	13	23	1
24	13	24	1
25	14	25	1
26	14	26	1
27	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1