@<TRIPOS>MOLECULE
DB07335
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.2809    -0.1443     0.9418	O.3	1	noname	-0.2853
2	C1    -3.6905     0.9292     0.3748	C.2	1	noname	0.0078
3	C2    -2.3184     0.9310     0.1520	C.2	1	noname	-0.0012
4	C3    -4.4546     2.0327     0.0136	C.2	1	noname	-0.0188
5	C4    -1.7106     2.0363    -0.4318	C.2	1	noname	-0.0185
6	C5    -3.8468     3.1380    -0.5703	C.2	1	noname	-0.0426
7	C6    -0.3385     2.0381    -0.6545	C.2	1	noname	0.0505
8	C7    -2.4747     3.1398    -0.7930	C.2	1	noname	-0.0409
9	N1     0.6230     1.4046     0.0565	N.2	1	noname	-0.3012
10	C8     0.3634     2.6888    -1.6562	C.2	1	noname	0.0011
11	N2     1.8296     1.6352    -0.3909	N.3	1	noname	0.0314
12	C9    -0.0343     3.4394    -2.7817	C.2	1	noname	0.0615
13	C10     1.7247     2.4136    -1.4775	C.2	1	noname	0.1191
14	C11     3.0292     1.1510     0.1701	C.3	1	noname	-0.0116
15	N3     0.9679     3.7856    -3.6630	N.2	1	noname	-0.2588
16	N4    -1.3105     3.7950    -2.9828	N.3	1	noname	-0.1091
17	N5     2.6859     2.8480    -2.3585	N.2	1	noname	-0.2415
18	C12     3.0132    -0.3789     0.1655	C.3	1	noname	-0.0447
19	C13     3.1594     1.6553     1.6087	C.3	1	noname	-0.0447
20	C14     2.3013     3.5178    -3.4932	C.2	1	noname	0.0604
21	H1    -4.2376    -0.0656     1.8976	H	1	noname	0.2181
22	H2    -1.7192     0.0657     0.4353	H	1	noname	0.0657
23	H3    -5.5306     2.0313     0.1882	H	1	noname	0.0650
24	H4    -4.4460     4.0033    -0.8535	H	1	noname	0.0623
25	H5    -1.9980     4.0065    -1.2509	H	1	noname	0.0629
26	H6     3.8208     1.5459    -0.4667	H	1	noname	0.0521
27	H7    -1.5567     4.7716    -3.0586	H	1	noname	0.1258
28	H8    -2.0262     3.0864    -3.0586	H	1	noname	0.1258
29	H9     3.0094    -0.7453     1.1921	H	1	noname	0.0250
30	H10     2.1195    -0.7314    -0.3494	H	1	noname	0.0250
31	H11     3.8993    -0.7500    -0.3494	H	1	noname	0.0250
32	H12     3.2209     0.8049     2.2877	H	1	noname	0.0250
33	H13     4.0614     2.2602     1.7014	H	1	noname	0.0250
34	H14     2.2887     2.2602     1.8619	H	1	noname	0.0250
35	H15     3.0340     3.8281    -4.2382	H	1	noname	0.1062
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	7	9	2
10	7	10	1
11	9	11	1
12	10	12	2
13	10	13	1
14	11	14	1
15	11	13	1
16	12	15	1
17	12	16	1
18	13	17	2
19	14	18	1
20	14	19	1
21	15	20	2
22	17	20	1
23	1	21	1
24	3	22	1
25	4	23	1
26	6	24	1
27	8	25	1
28	14	26	1
29	16	27	1
30	16	28	1
31	18	29	1
32	18	30	1
33	18	31	1
34	19	32	1
35	19	33	1
36	19	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1