@<TRIPOS>MOLECULE
DB06738
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7426    -2.8238    -1.3006	O.2	1	noname	-0.2957
2	C1    -0.2575    -1.6814    -1.0844	C.2	1	noname	0.1400
3	C2    -0.3657    -1.0528     0.2930	C.3	1	noname	0.0563
4	C3     0.3017    -1.0432    -2.2984	C.3	1	noname	0.0041
5	C4     0.4987     0.2151     0.4563	C.2	1	noname	-0.0399
6	C5     0.1137    -2.1100     1.3860	C.3	1	noname	-0.0236
7	C6    -1.9417    -0.7654     0.3172	C.3	1	noname	-0.0236
8	C7     1.5138    -1.7951    -2.8214	C.3	1	noname	-0.0584
9	C8     1.8908     0.2504     0.0624	C.2	1	noname	-0.0245
10	C9    -0.0452     1.4554     0.9600	C.2	1	noname	-0.0652
11	C10    -1.0294    -2.9700     2.0221	C.3	1	noname	-0.0008
12	C11    -2.6659    -1.0178     1.6635	C.3	1	noname	-0.0008
13	C12     2.6117     1.4854     0.0126	C.2	1	noname	0.0001
14	C13     0.6468     2.7083     0.9569	C.2	1	noname	-0.0504
15	N1    -2.0905    -2.0758     2.5479	N.3	1	noname	-0.3062
16	O2     3.8954     1.5154    -0.4265	O.3	1	noname	-0.2859
17	C14     1.9782     2.6889     0.4412	C.2	1	noname	-0.0322
18	C15    -3.1724    -2.8820     3.1107	C.3	1	noname	-0.0133
19	H1    -0.4725    -1.1258    -3.0613	H	1	noname	0.0343
20	H2     0.6533    -0.0609    -1.9829	H	1	noname	0.0343
21	H3     0.7464    -2.8221     0.8562	H	1	noname	0.0293
22	H4     0.5231    -1.5245     2.2093	H	1	noname	0.0293
23	H5    -2.0541     0.3044     0.1409	H	1	noname	0.0293
24	H6    -2.3877    -1.4813    -0.3732	H	1	noname	0.0293
25	H7     2.1043    -2.1614    -1.9816	H	1	noname	0.0235
26	H8     1.1843    -2.6380    -3.4289	H	1	noname	0.0235
27	H9     2.1225    -1.1254    -3.4289	H	1	noname	0.0235
28	H10     2.4071    -0.6724    -0.2022	H	1	noname	0.0653
29	H11    -1.0537     1.4452     1.3736	H	1	noname	0.0625
30	H12    -1.4951    -3.5452     1.2219	H	1	noname	0.0430
31	H13    -0.6145    -3.4814     2.8907	H	1	noname	0.0430
32	H14    -2.5610    -0.0969     2.2372	H	1	noname	0.0430
33	H15    -3.6577    -1.3888     1.4051	H	1	noname	0.0430
34	H16     0.1863     3.6247     1.3261	H	1	noname	0.0623
35	H17     4.4909     1.5294     0.3264	H	1	noname	0.2181
36	H18     2.5306     3.6260     0.3723	H	1	noname	0.0650
37	H19    -3.1241    -2.8460     4.1991	H	1	noname	0.0394
38	H20    -4.1317    -2.4869     2.7764	H	1	noname	0.0394
39	H21    -3.0682    -3.9142     2.7764	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	7	12	1
12	9	13	1
13	10	14	2
14	11	15	1
15	12	15	1
16	13	16	1
17	13	17	2
18	14	17	1
19	15	18	1
20	4	19	1
21	4	20	1
22	6	21	1
23	6	22	1
24	7	23	1
25	7	24	1
26	8	25	1
27	8	26	1
28	8	27	1
29	9	28	1
30	10	29	1
31	11	30	1
32	11	31	1
33	12	32	1
34	12	33	1
35	14	34	1
36	16	35	1
37	17	36	1
38	18	37	1
39	18	38	1
40	18	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1