@<TRIPOS>MOLECULE
DB04292
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0699    -4.4651    -0.7313	O.2	1	noname	-0.2495
2	C1    -0.3331    -3.5309    -1.5190	C.2	1	noname	0.1438
3	O2    -1.3360    -3.6639    -2.4128	O.3	1	noname	-0.2139
4	C2     0.4442    -2.2959    -1.4723	C.3	1	noname	0.0953
5	N1     1.0920    -2.0786    -2.7649	N.3	1	noname	-0.3191
6	C3    -0.4846    -1.1200    -1.1633	C.3	1	noname	-0.0030
7	C4     0.2926     0.1150    -1.1166	C.2	1	noname	-0.0532
8	C5     0.8494     0.5408     0.0837	C.2	1	noname	-0.0539
9	C6     0.4759     0.8649    -2.2725	C.2	1	noname	-0.0539
10	C7     1.5895     1.7166     0.1281	C.2	1	noname	-0.0514
11	C8     1.2159     2.0407    -2.2281	C.2	1	noname	-0.0514
12	C9     1.7727     2.4666    -1.0278	C.2	1	noname	-0.0482
13	C10     2.5500     3.7016    -0.9812	C.3	1	noname	0.0208
14	N2     1.6624     4.8252    -0.6859	N.3	1	noname	-0.3104
15	C11     2.4407     6.0619    -0.6392	C.3	1	noname	0.0015
16	C12     1.5119     7.2377    -0.3301	C.3	1	noname	-0.0500
17	C13     3.1186     6.2892    -1.9918	C.3	1	noname	-0.0500
18	H1    -2.1678    -3.7742    -1.9464	H	1	noname	0.2213
19	H2     1.2209    -2.4119    -0.7164	H	1	noname	0.0575
20	H3     0.5337    -2.0036    -3.6032	H	1	noname	0.1191
21	H4     2.0977    -2.0036    -2.8194	H	1	noname	0.1191
22	H5    -1.1695    -1.0116    -2.0043	H	1	noname	0.0337
23	H6    -0.8765    -1.2658    -0.1567	H	1	noname	0.0337
24	H7     0.7058    -0.0473     0.9901	H	1	noname	0.0625
25	H8     0.0392     0.5310    -3.2138	H	1	noname	0.0625
26	H9     2.0261     2.0505     1.0693	H	1	noname	0.0626
27	H10     1.3596     2.6288    -3.1345	H	1	noname	0.0626
28	H11     3.2343     3.6105    -0.1377	H	1	noname	0.0478
29	H12     2.9413     3.8647    -1.9853	H	1	noname	0.0478
30	H13     0.6657     4.7575    -0.5372	H	1	noname	0.1228
31	H14     3.1844     5.9416     0.1486	H	1	noname	0.0459
32	H15     1.4200     7.3541     0.7497	H	1	noname	0.0246
33	H16     1.9253     8.1501    -0.7600	H	1	noname	0.0246
34	H17     0.5286     7.0467    -0.7600	H	1	noname	0.0246
35	H18     3.3480     5.3270    -2.4496	H	1	noname	0.0246
36	H19     2.4497     6.8514    -2.6435	H	1	noname	0.0246
37	H20     4.0410     6.8514    -1.8460	H	1	noname	0.0246
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	12	13	1
14	13	14	1
15	14	15	1
16	15	16	1
17	15	17	1
18	3	18	1
19	4	19	1
20	5	20	1
21	5	21	1
22	6	22	1
23	6	23	1
24	8	24	1
25	9	25	1
26	10	26	1
27	11	27	1
28	13	28	1
29	13	29	1
30	14	30	1
31	15	31	1
32	16	32	1
33	16	33	1
34	16	34	1
35	17	35	1
36	17	36	1
37	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1