@<TRIPOS>MOLECULE
DB07461
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4626    -2.3871     1.5387	O.2	1	noname	-0.2795
2	C1     2.4096    -1.1499     1.3683	C.2	1	noname	0.0748
3	N1     1.6064    -0.4904     0.2823	N.3	1	noname	-0.0463
4	C2     3.1620    -0.1301     2.2500	C.3	1	noname	0.0970
5	N2     1.4352     0.9337     0.2314	N.3	1	noname	-0.1906
6	C3     0.2688    -1.0793     0.2210	C.3	1	noname	0.0894
7	N3     4.2926    -0.7896     2.9014	N.3	1	noname	-0.3174
8	C4     3.6715     1.0994     1.4479	C.3	1	noname	-0.0119
9	C5     2.1492     0.4001     3.2670	C.3	1	noname	-0.0011
10	C6     2.4791     1.8333     0.8121	C.3	1	noname	0.0161
11	C7     0.1097     1.2891     0.7632	C.3	1	noname	0.0158
12	C8     0.0300    -1.6453    -1.1848	C.2	1	noname	0.1363
13	C9    -0.7309     0.0296     0.5578	C.3	1	noname	-0.0145
14	C10     1.6411    -0.7078     4.0707	C.2	1	noname	-0.0540
15	O2    -0.2054    -2.8333    -1.3322	O.2	1	noname	-0.2989
16	C11     0.7022    -0.4697     5.0677	C.2	1	noname	-0.0566
17	C12     2.0962    -2.0006     3.8390	C.2	1	noname	-0.0566
18	C13     0.2184    -1.5245     5.8329	C.2	1	noname	-0.0604
19	C14     1.6125    -3.0553     4.6043	C.2	1	noname	-0.0604
20	C15     0.6736    -2.8173     5.6012	C.2	1	noname	-0.0616
21	H1     0.1977    -1.8917     0.9442	H	1	noname	0.0566
22	H2     4.2424    -1.7730     3.1264	H	1	noname	0.1194
23	H3     5.1238    -0.2619     3.1264	H	1	noname	0.1194
24	H4     4.1115     1.7883     2.1689	H	1	noname	0.0304
25	H5     4.2734     0.7139     0.6250	H	1	noname	0.0304
26	H6     2.6860     1.0502     3.9579	H	1	noname	0.0340
27	H7     1.2940     0.7837     2.7106	H	1	noname	0.0340
28	H8     2.8801     2.3887    -0.0357	H	1	noname	0.0446
29	H9     1.9795     2.3627     1.6234	H	1	noname	0.0446
30	H10     0.2246     1.4558     1.8342	H	1	noname	0.0446
31	H11    -0.2925     2.0790     0.1288	H	1	noname	0.0446
32	H12     0.0273    -1.1623    -2.1619	H	1	noname	0.1059
33	H13    -1.3550     0.1898    -0.3214	H	1	noname	0.0301
34	H14    -1.1904    -0.2194     1.5143	H	1	noname	0.0301
35	H15     0.3453     0.5440     5.2494	H	1	noname	0.0625
36	H16     2.8325    -2.1872     3.0573	H	1	noname	0.0625
37	H17    -0.5178    -1.3378     6.6147	H	1	noname	0.0622
38	H18     1.9694    -4.0691     4.4226	H	1	noname	0.0622
39	H19     0.2942    -3.6444     6.2013	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	4	9	1
9	5	10	1
10	5	11	1
11	6	12	1
12	6	13	1
13	8	10	1
14	9	14	1
15	11	13	1
16	12	15	2
17	14	16	2
18	14	17	1
19	16	18	1
20	17	19	2
21	18	20	2
22	19	20	1
23	6	21	1
24	7	22	1
25	7	23	1
26	8	24	1
27	8	25	1
28	9	26	1
29	9	27	1
30	10	28	1
31	10	29	1
32	11	30	1
33	11	31	1
34	12	32	1
35	13	33	1
36	13	34	1
37	16	35	1
38	17	36	1
39	18	37	1
40	19	38	1
41	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1