@<TRIPOS>MOLECULE
DB02070
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.2787     1.2403     1.3669	O.2	1	noname	-0.2495
2	C1    -3.8818     0.1100     1.0101	C.2	1	noname	0.1439
3	O2    -4.7393    -0.7527     0.4244	O.3	1	noname	-0.2139
4	C2    -2.4909    -0.2773     1.2268	C.3	1	noname	0.0985
5	N1    -2.4425    -1.4604     2.0844	N.3	1	noname	-0.3190
6	C3    -1.8345    -0.5951    -0.1182	C.3	1	noname	0.0356
7	C4    -0.4436    -0.9824     0.0986	C.2	1	noname	0.0956
8	O3    -0.1747    -1.9758     0.8080	O.2	1	noname	-0.2958
9	C5     0.5816    -0.2464    -0.4840	C.2	1	noname	-0.0335
10	C6     1.8198    -0.1628     0.1423	C.2	1	noname	0.0031
11	C7     0.3687     0.4060    -1.6927	C.2	1	noname	-0.0237
12	N2     2.0250    -0.7918     1.3076	N.3	1	noname	-0.1472
13	C8     2.8450     0.5731    -0.4403	C.2	1	noname	-0.0593
14	C9     1.3940     1.1420    -2.2753	C.2	1	noname	-0.0815
15	C10     2.6321     1.2256    -1.6490	C.2	1	noname	-0.0448
16	H1    -5.2194    -1.2357     1.1010	H	1	noname	0.2213
17	H2    -1.9876     0.5398     1.7436	H	1	noname	0.0576
18	H3    -3.2997    -1.9049     2.3806	H	1	noname	0.1192
19	H4    -1.5518    -1.8333     2.3806	H	1	noname	0.1192
20	H5    -2.3306    -1.4754    -0.5268	H	1	noname	0.0372
21	H6    -1.8019     0.3292    -0.6951	H	1	noname	0.0372
22	H7    -0.6022     0.3405    -2.1838	H	1	noname	0.0630
23	H8     2.9638    -1.0288     1.5950	H	1	noname	0.1243
24	H9     1.2409    -1.0288     1.8984	H	1	noname	0.1243
25	H10     3.8159     0.6387     0.0508	H	1	noname	0.0639
26	H11     1.2270     1.6536    -3.2232	H	1	noname	0.0622
27	H12     3.4361     1.8027    -2.1058	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	9	10	2
10	9	11	1
11	10	12	1
12	10	13	1
13	11	14	2
14	13	15	2
15	14	15	1
16	3	16	1
17	4	17	1
18	5	18	1
19	5	19	1
20	6	20	1
21	6	21	1
22	11	22	1
23	12	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1