@<TRIPOS>MOLECULE
DB00792
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.6661    -0.7130     3.1531	N.2	1	noname	-0.2665
2	C1     2.5637    -0.7449     2.0983	C.2	1	noname	0.0242
3	C2     2.0244    -0.6468     4.4897	C.2	1	noname	-0.0082
4	N2     2.1280    -0.8092     0.8327	N.3	1	noname	-0.0957
5	C3     3.9695    -0.7077     2.3869	C.2	1	noname	-0.0349
6	C4     3.4186    -0.6075     4.8295	C.2	1	noname	-0.0601
7	C5     1.3269     0.3170     0.5537	C.3	1	noname	0.0296
8	C6     1.3666    -1.9828     0.6569	C.3	1	noname	0.0176
9	C7     4.3678    -0.6392     3.7594	C.2	1	noname	-0.0459
10	C8     0.8522     0.2470    -0.8252	C.2	1	noname	-0.0485
11	C9     2.2359    -3.2049     0.9597	C.3	1	noname	0.0109
12	C10     0.0392     1.2539    -1.3324	C.2	1	noname	-0.0530
13	C11     1.2133    -0.8267    -1.6309	C.2	1	noname	-0.0530
14	N3     1.4463    -4.4218     0.7774	N.3	1	noname	-0.3080
15	C12    -0.4128     1.1872    -2.6452	C.2	1	noname	-0.0594
16	C13     0.7613    -0.8934    -2.9436	C.2	1	noname	-0.0594
17	C14     2.2770    -5.5896     1.0668	C.3	1	noname	-0.0136
18	C15     0.3015    -4.4008     1.6864	C.3	1	noname	-0.0136
19	C16    -0.0517     0.1135    -3.4508	C.2	1	noname	-0.0613
20	H1     1.2391    -0.6265     5.2454	H	1	noname	0.0839
21	H2     4.7114    -0.7307     1.5887	H	1	noname	0.0656
22	H3     3.7464    -0.5553     5.8677	H	1	noname	0.0638
23	H4     0.4548     0.2376     1.2026	H	1	noname	0.0485
24	H5     1.9844     1.1832     0.6279	H	1	noname	0.0485
25	H6     0.5792    -1.9312     1.4088	H	1	noname	0.0448
26	H7     1.1085    -2.0034    -0.4019	H	1	noname	0.0448
27	H8     5.4309    -0.6102     3.9980	H	1	noname	0.0624
28	H9     3.0236    -3.2426     0.2073	H	1	noname	0.0443
29	H10     2.4942    -3.1705     2.0181	H	1	noname	0.0443
30	H11    -0.2440     2.0958    -0.7006	H	1	noname	0.0626
31	H12     1.8508    -1.6163    -1.2332	H	1	noname	0.0626
32	H13    -1.0503     1.9768    -3.0429	H	1	noname	0.0622
33	H14     1.0445    -1.7353    -3.5754	H	1	noname	0.0622
34	H15     2.3655    -5.7141     2.1460	H	1	noname	0.0394
35	H16     1.8172    -6.4786     0.6350	H	1	noname	0.0394
36	H17     3.2676    -5.4468     0.6350	H	1	noname	0.0394
37	H18     0.6559    -4.4073     2.7172	H	1	noname	0.0394
38	H19    -0.2861    -3.4998     1.5099	H	1	noname	0.0394
39	H20    -0.3188    -5.2795     1.5099	H	1	noname	0.0394
40	H21    -0.4061     0.0612    -4.4802	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	4	7	1
7	4	8	1
8	5	9	2
9	6	9	1
10	7	10	1
11	8	11	1
12	10	12	2
13	10	13	1
14	11	14	1
15	12	15	1
16	13	16	2
17	14	17	1
18	14	18	1
19	15	19	2
20	16	19	1
21	3	20	1
22	5	21	1
23	6	22	1
24	7	23	1
25	7	24	1
26	8	25	1
27	8	26	1
28	9	27	1
29	11	28	1
30	11	29	1
31	12	30	1
32	13	31	1
33	15	32	1
34	16	33	1
35	17	34	1
36	17	35	1
37	17	36	1
38	18	37	1
39	18	38	1
40	18	39	1
41	19	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1