@<TRIPOS>MOLECULE
DB04434
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.9077     0.6811     0.1232	N.2	1	noname	-0.2227
2	C1    -0.4221     0.6449    -0.1401	C.2	1	noname	0.0294
3	C2     1.6917     1.7577    -0.1968	C.2	1	noname	0.0238
4	C3    -1.0848     1.8248    -0.6473	C.2	1	noname	0.0264
5	C4    -1.1204    -0.5746    -0.0647	C.2	1	noname	0.0022
6	C5     3.0843     1.5528    -0.2779	C.2	1	noname	0.0223
7	C6     1.0694     2.9923    -0.5790	C.2	1	noname	0.0005
8	N2    -2.3942     1.7283    -1.0856	N.2	1	noname	-0.2350
9	C7    -0.3398     3.0334    -0.7645	C.2	1	noname	0.0047
10	C8    -2.4319    -0.6576    -0.5866	C.2	1	noname	-0.0116
11	C9     3.7196     0.5025    -0.8384	C.2	1	noname	-0.0419
12	C10     4.0684     2.4956     0.2242	C.3	1	noname	0.0393
13	C11    -3.0596     0.5192    -1.0869	C.2	1	noname	0.0047
14	N3     5.0065     0.7218    -0.6853	N.3	1	noname	-0.1184
15	C12     3.2731    -0.6744    -1.4986	C.2	1	noname	0.0181
16	N4     5.3601     1.8626    -0.0574	N.3	1	noname	-0.2248
17	N5     4.1436    -1.7573    -1.5822	N.2	1	noname	-0.2524
18	C13     1.9649    -0.8292    -2.0725	C.2	1	noname	-0.0263
19	C14     3.8290    -3.0178    -2.0796	C.2	1	noname	0.0010
20	C15     1.5716    -2.1030    -2.5661	C.2	1	noname	-0.0412
21	C16     2.4863    -3.2047    -2.5523	C.2	1	noname	-0.0393
22	C17     4.8136    -4.0951    -2.1189	C.3	1	noname	0.0316
23	H1    -0.6505    -1.4453     0.3929	H	1	noname	0.0646
24	H2     1.6637     3.8939    -0.7275	H	1	noname	0.0646
25	H3    -0.8400     3.9746    -0.9926	H	1	noname	0.0646
26	H4    -2.9519    -1.6155    -0.6030	H	1	noname	0.0639
27	H5     3.9986     3.4003    -0.3798	H	1	noname	0.0494
28	H6     3.9506     2.5524     1.3063	H	1	noname	0.0494
29	H7    -4.0755     0.4939    -1.4810	H	1	noname	0.0839
30	H8     5.6824     0.0547    -1.0292	H	1	noname	0.1475
31	H9     6.3062     2.1545     0.1418	H	1	noname	0.1419
32	H10     1.2761     0.0134    -2.1331	H	1	noname	0.0645
33	H11     0.5629    -2.2357    -2.9574	H	1	noname	0.0624
34	H12     2.1608    -4.1847    -2.9012	H	1	noname	0.0641
35	H13     5.0773    -4.3836    -1.1014	H	1	noname	0.0295
36	H14     4.3924    -4.9534    -2.6423	H	1	noname	0.0295
37	H15     5.7063    -3.7526    -2.6423	H	1	noname	0.0295
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	2	5	2
5	3	6	1
6	3	7	1
7	4	8	2
8	4	9	1
9	5	10	1
10	6	11	2
11	6	12	1
12	7	9	2
13	8	13	1
14	10	13	2
15	11	14	1
16	11	15	1
17	12	16	1
18	14	16	1
19	15	17	2
20	15	18	1
21	17	19	1
22	18	20	2
23	19	21	2
24	19	22	1
25	20	21	1
26	5	23	1
27	7	24	1
28	9	25	1
29	10	26	1
30	12	27	1
31	12	28	1
32	13	29	1
33	14	30	1
34	16	31	1
35	18	32	1
36	20	33	1
37	21	34	1
38	22	35	1
39	22	36	1
40	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1