@<TRIPOS>MOLECULE
DB04430
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.0805    -0.3417    -4.2245	N.1	1	noname	-0.1777
2	C1    -1.0377    -0.7232    -3.7185	C.1	1	noname	0.0931
3	C2    -2.0901    -1.1425    -3.1622	C.2	1	noname	0.0867
4	C3    -2.7339    -2.1617    -3.8108	C.2	1	noname	0.1435
5	C4    -2.4232    -0.5269    -2.0159	C.2	1	noname	-0.0412
6	N2    -2.3715    -2.7526    -4.9556	N.2	1	noname	-0.0987
7	N3    -3.8618    -2.7478    -3.3917	N.2	1	noname	-0.2152
8	N4    -3.3973    -0.5989    -1.0910	N.3	1	noname	-0.0390
9	N5    -3.2557    -3.6630    -5.2118	N.2	1	noname	-0.1741
10	N6    -4.1431    -3.6464    -4.2628	N.3	1	noname	0.0634
11	C5    -4.5611    -1.3837    -0.8922	C.2	1	noname	-0.0560
12	C6    -5.3620    -1.1689     0.2234	C.2	1	noname	-0.0614
13	C7    -4.9012    -2.3680    -1.8129	C.2	1	noname	-0.0614
14	C8    -6.5030    -1.9384     0.4183	C.2	1	noname	-0.0608
15	C9    -6.0422    -3.1375    -1.6180	C.2	1	noname	-0.0608
16	C10    -6.8431    -2.9227    -0.5024	C.2	1	noname	-0.0563
17	N7    -7.9431    -3.6645    -0.3145	N.3	1	noname	-0.0314
18	C11    -7.6300    -4.7550     0.3986	C.2	1	noname	-0.0326
19	C12    -8.6152    -5.6811     0.7209	C.2	1	noname	-0.0613
20	C13    -6.3201    -4.9601     0.8158	C.2	1	noname	-0.0613
21	C14    -8.2904    -6.8123     1.4606	C.2	1	noname	-0.0637
22	C15    -5.9953    -6.0913     1.5554	C.2	1	noname	-0.0637
23	C16    -6.9804    -7.0174     1.8778	C.2	1	noname	-0.0857
24	H1    -1.6997     0.2491    -1.7660	H	1	noname	0.0768
25	H2    -3.2124     0.0967    -0.3825	H	1	noname	0.1336
26	H3    -4.9481    -4.2540    -4.2091	H	1	noname	0.2008
27	H4    -5.0953    -0.3971     0.9453	H	1	noname	0.0639
28	H5    -4.2732    -2.5364    -2.6877	H	1	noname	0.0639
29	H6    -7.1311    -1.7700     1.2931	H	1	noname	0.0639
30	H7    -6.3090    -3.9093    -2.3399	H	1	noname	0.0639
31	H8    -8.8655    -3.4369    -0.6572	H	1	noname	0.1342
32	H9    -9.6424    -5.5203     0.3938	H	1	noname	0.0639
33	H10    -5.5475    -4.2339     0.5629	H	1	noname	0.0639
34	H11    -9.0629    -7.5385     1.7134	H	1	noname	0.0623
35	H12    -4.9681    -6.2522     1.8825	H	1	noname	0.0623
36	H13    -6.7258    -7.9045     2.4578	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	3
2	2	3	1
3	3	4	1
4	3	5	2
5	4	6	1
6	4	7	2
7	5	8	1
8	6	9	2
9	7	10	1
10	8	11	1
11	9	10	1
12	11	12	2
13	11	13	1
14	12	14	1
15	13	15	2
16	14	16	2
17	15	16	1
18	16	17	1
19	17	18	1
20	18	19	2
21	18	20	1
22	19	21	1
23	20	22	2
24	21	23	2
25	22	23	1
26	5	24	1
27	8	25	1
28	10	26	1
29	12	27	1
30	13	28	1
31	14	29	1
32	15	30	1
33	17	31	1
34	19	32	1
35	20	33	1
36	21	34	1
37	22	35	1
38	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1