@<TRIPOS>MOLECULE
DB02391
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2280    -2.2699    -0.2623	O.2	1	noname	-0.2796
2	C1    -0.6449    -1.1049    -0.0843	C.2	1	noname	0.0645
3	N1    -1.9672    -0.8462     0.1567	N.3	1	noname	0.0480
4	C2     0.2288     0.0087    -0.1226	C.2	1	noname	0.0104
5	C3    -2.4811     0.4131     0.3783	C.2	1	noname	-0.0745
6	N2     1.5570     0.1038    -0.2672	N.3	1	noname	0.0049
7	C4    -0.2990     1.2873     0.0647	C.2	1	noname	0.1039
8	N3    -1.6327     1.4902     0.3200	N.2	1	noname	-0.1831
9	N4    -3.7833     0.5826     0.6454	N.3	1	noname	-0.1230
10	C5     1.8406     1.4243    -0.2235	C.2	1	noname	-0.0133
11	C6     2.4718    -0.9566    -0.4314	C.3	1	noname	-0.0356
12	N5     0.7203     2.1613    -0.0490	N.2	1	noname	-0.1856
13	C7     2.9643    -1.4222     0.9403	C.3	1	noname	0.0119
14	N6     3.9128    -2.5217     0.7700	N.3	1	noname	-0.3081
15	C8     4.3834    -2.9666     2.0807	C.3	1	noname	0.0535
16	C9     5.3760    -4.1173     1.9026	C.3	1	noname	0.0608
17	C10     3.1931    -3.4445     2.9148	C.3	1	noname	0.0608
18	O2     6.4808    -3.6738     1.1284	O.3	1	noname	-0.3945
19	O3     3.6502    -3.8767     4.1879	O.3	1	noname	-0.3945
20	H1    -2.6019    -1.6318     0.1719	H	1	noname	0.1400
21	H2    -4.1611     1.5138     0.7461	H	1	noname	0.1268
22	H3    -4.3869    -0.2209     0.7461	H	1	noname	0.1268
23	H4     2.8435     1.8411    -0.3169	H	1	noname	0.1016
24	H5     1.8966    -1.7670    -0.8790	H	1	noname	0.0486
25	H6     3.3176    -0.5273    -0.9684	H	1	noname	0.0486
26	H7     3.5311    -0.6025     1.3818	H	1	noname	0.0444
27	H8     2.1100    -1.8422     1.4712	H	1	noname	0.0444
28	H9     4.1987    -2.9133    -0.1160	H	1	noname	0.1227
29	H10     4.8663    -2.1116     2.5538	H	1	noname	0.0512
30	H11     5.7871    -4.3633     2.8816	H	1	noname	0.0580
31	H12     4.8933    -4.8900     1.3043	H	1	noname	0.0580
32	H13     2.5525    -2.5850     3.1123	H	1	noname	0.0580
33	H14     2.7809    -4.3331     2.4368	H	1	noname	0.0580
34	H15     7.1876    -3.3900     1.7128	H	1	noname	0.2100
35	H16     3.6602    -4.8362     4.2155	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	1
10	6	11	1
11	7	12	1
12	7	8	1
13	10	12	2
14	11	13	1
15	13	14	1
16	14	15	1
17	15	16	1
18	15	17	1
19	16	18	1
20	17	19	1
21	3	20	1
22	9	21	1
23	9	22	1
24	10	23	1
25	11	24	1
26	11	25	1
27	13	26	1
28	13	27	1
29	14	28	1
30	15	29	1
31	16	30	1
32	16	31	1
33	17	32	1
34	17	33	1
35	18	34	1
36	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1