@<TRIPOS>MOLECULE
DB00953
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     5.8700    -3.9138    -2.8337	N.2	1	noname	-0.2520
2	N2     4.8547    -3.1272    -2.7100	N.3	1	noname	0.0183
3	C1     6.9417    -3.1972    -3.2060	C.2	1	noname	0.0762
4	C2     5.2707    -1.8742    -3.0269	C.2	1	noname	-0.0073
5	C3     3.5609    -3.5958    -2.2933	C.3	1	noname	0.0104
6	N3     6.5748    -1.9160    -3.3227	N.2	1	noname	-0.1976
7	C4     2.4708    -2.6096    -2.2476	C.2	1	noname	-0.0389
8	C5     2.4719    -1.4907    -1.3480	C.2	1	noname	-0.0329
9	C6     1.4999    -2.7939    -3.2716	C.2	1	noname	-0.0439
10	C7     1.4576    -0.5421    -1.5823	C.2	1	noname	-0.0309
11	C8     0.4799    -1.8466    -3.4888	C.2	1	noname	-0.0416
12	C9     0.5099    -0.7311    -2.6108	C.2	1	noname	-0.0919
13	C10     1.1801     0.6588    -0.9471	C.2	1	noname	-0.0384
14	N4    -0.3501     0.2914    -2.5789	N.3	1	noname	-0.0869
15	C11     0.0353     1.1380    -1.5932	C.2	1	noname	-0.1262
16	C12     1.9164     1.2825     0.1486	C.3	1	noname	0.0229
17	C13     3.0029     2.1962    -0.4221	C.3	1	noname	0.0017
18	N5     3.7402     2.8207     0.6751	N.3	1	noname	-0.3090
19	C14     4.7784     3.6938     0.1299	C.3	1	noname	-0.0136
20	C15     4.3589     1.7836     1.4991	C.3	1	noname	-0.0136
21	H1     7.9427    -3.5901    -3.3839	H	1	noname	0.1079
22	H2     4.6543    -0.9754    -3.0414	H	1	noname	0.1030
23	H3     3.2705    -4.3174    -3.0569	H	1	noname	0.0541
24	H4     3.7046    -3.9207    -1.2629	H	1	noname	0.0541
25	H5     3.1946    -1.3696    -0.5410	H	1	noname	0.0633
26	H6     1.5384    -3.6809    -3.9039	H	1	noname	0.0626
27	H7    -0.2698    -1.9666    -4.2709	H	1	noname	0.0642
28	H8    -1.1469     0.4040    -3.1891	H	1	noname	0.1522
29	H9    -0.4935     2.0613    -1.3567	H	1	noname	0.0792
30	H10     1.1977     1.9129     0.6721	H	1	noname	0.0329
31	H11     2.4141     0.4691     0.6765	H	1	noname	0.0329
32	H12     3.7212     1.5655    -0.9458	H	1	noname	0.0433
33	H13     2.5048     3.0093    -0.9502	H	1	noname	0.0433
34	H14     5.3297     4.1575     0.9479	H	1	noname	0.0394
35	H15     5.4625     3.1063    -0.4824	H	1	noname	0.0394
36	H16     4.3169     4.4686    -0.4824	H	1	noname	0.0394
37	H17     4.2159     2.0232     2.5528	H	1	noname	0.0394
38	H18     3.8967     0.8212     1.2794	H	1	noname	0.0394
39	H19     5.4253     1.7331     1.2794	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	2	5	1
5	3	6	1
6	4	6	2
7	5	7	1
8	7	8	2
9	7	9	1
10	8	10	1
11	9	11	2
12	10	12	2
13	10	13	1
14	11	12	1
15	12	14	1
16	13	15	2
17	13	16	1
18	14	15	1
19	16	17	1
20	17	18	1
21	18	19	1
22	18	20	1
23	3	21	1
24	4	22	1
25	5	23	1
26	5	24	1
27	8	25	1
28	9	26	1
29	11	27	1
30	14	28	1
31	15	29	1
32	16	30	1
33	16	31	1
34	17	32	1
35	17	33	1
36	19	34	1
37	19	35	1
38	19	36	1
39	20	37	1
40	20	38	1
41	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1