@<TRIPOS>MOLECULE
DB02282
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.2663    -0.1685     0.6590	S.3	1	noname	-0.1625
2	C1     4.4938     0.1452     0.6557	C.3	1	noname	0.0222
3	C2     7.1404     1.3326     1.1307	C.3	1	noname	-0.0183
4	C3     3.7508    -1.1308     0.2548	C.3	1	noname	0.0977
5	O1     4.0443    -2.1533     1.1754	O.3	1	noname	-0.3499
6	C4     2.2420    -0.8847     0.3214	C.3	1	noname	0.1112
7	C5     2.9353    -3.0245     1.0336	C.3	1	noname	0.1589
8	O2     1.7078    -0.8603    -0.9941	O.3	1	noname	-0.3874
9	C6     1.7105    -2.1075     1.0637	C.3	1	noname	0.1257
10	N1     3.0054    -4.0890     1.9858	N.3	1	noname	0.0257
11	O3     0.6593    -2.6971     0.3128	O.3	1	noname	-0.3857
12	C7     4.0446    -4.9469     2.0956	C.2	1	noname	0.1238
13	C8     2.1104    -4.4276     2.9627	C.2	1	noname	-0.0362
14	N2     5.2007    -5.0751     1.3760	N.2	1	noname	-0.2441
15	C9     3.7445    -5.7628     3.1964	C.2	1	noname	0.0254
16	N3     2.5592    -5.4514     3.7086	N.2	1	noname	-0.2172
17	C10     6.1204    -6.0229     1.7563	C.2	1	noname	0.0503
18	C11     4.6941    -6.7274     3.5847	C.2	1	noname	0.0729
19	N4     5.8399    -6.8084     2.8482	N.2	1	noname	-0.2575
20	N5     4.4811    -7.5326     4.6344	N.3	1	noname	-0.1031
21	H1     4.1566     0.3354     1.6746	H	1	noname	0.0408
22	H2     4.2512     0.8503    -0.1393	H	1	noname	0.0408
23	H3     7.1814     1.4029     2.2176	H	1	noname	0.0343
24	H4     8.1537     1.3041     0.7300	H	1	noname	0.0343
25	H5     6.6155     2.1998     0.7300	H	1	noname	0.0343
26	H6     4.0831    -1.4823    -0.7220	H	1	noname	0.0641
27	H7     1.9476     0.0749     0.7463	H	1	noname	0.0657
28	H8     2.9726    -3.6142     0.1176	H	1	noname	0.0853
29	H9     1.5816    -1.7598    -1.3049	H	1	noname	0.2106
30	H10     1.2590    -1.9259     2.0390	H	1	noname	0.0674
31	H11     0.0050    -3.0641     0.9119	H	1	noname	0.2107
32	H12     1.1505    -3.9383     3.1276	H	1	noname	0.1016
33	H13     7.0517    -6.1489     1.2040	H	1	noname	0.1062
34	H14     5.2581    -7.8361     5.2039	H	1	noname	0.1258
35	H15     3.5437    -7.8361     4.8561	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	9	1
11	9	11	1
12	10	12	1
13	10	13	1
14	12	14	2
15	12	15	1
16	13	16	2
17	14	17	1
18	15	18	2
19	15	16	1
20	17	19	2
21	18	20	1
22	18	19	1
23	2	21	1
24	2	22	1
25	3	23	1
26	3	24	1
27	3	25	1
28	4	26	1
29	6	27	1
30	7	28	1
31	8	29	1
32	9	30	1
33	11	31	1
34	13	32	1
35	17	33	1
36	20	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1