@<TRIPOS>MOLECULE
DB02096
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0495    -0.2087    -0.6488	O.2	1	noname	-0.2854
2	C1    -0.8899    -0.5577    -0.3389	C.2	1	noname	0.0418
3	N1    -0.5668    -1.8579    -0.3096	N.3	1	noname	-0.0777
4	C2     0.0644     0.4028    -0.0247	C.2	1	noname	0.0530
5	N2     1.3369     0.1656     0.3224	N.2	1	noname	-0.2123
6	C3    -0.1329     1.7778    -0.0150	C.2	1	noname	-0.0305
7	C4     1.9283     1.3503     0.5451	C.2	1	noname	-0.0342
8	N3     1.0357     2.3321     0.3404	N.3	1	noname	-0.0194
9	C5     1.2848     3.7133     0.4760	C.3	1	noname	-0.0289
10	C6     1.7654     4.2787    -0.8620	C.3	1	noname	0.0621
11	C7     2.3618     3.9352     1.5399	C.3	1	noname	-0.0278
12	O2     0.7659     4.0727    -1.8493	O.3	1	noname	-0.3943
13	C8     1.8812     3.3698     2.8778	C.3	1	noname	0.0064
14	C9     2.9089     3.5816     3.8930	C.2	1	noname	-0.0578
15	C10     2.6975     3.1488     5.1969	C.2	1	noname	-0.0651
16	C11     4.0988     4.2159     3.5556	C.2	1	noname	-0.0651
17	C12     3.6759     3.3505     6.1634	C.2	1	noname	-0.0635
18	C13     5.0772     4.4176     4.5221	C.2	1	noname	-0.0635
19	C14     4.8658     3.9848     5.8260	C.2	1	noname	-0.0695
20	H1    -1.2939    -2.5588    -0.2986	H	1	noname	0.1275
21	H2     0.4038    -2.1369    -0.2986	H	1	noname	0.1275
22	H3    -1.0460     2.3263    -0.2460	H	1	noname	0.0816
23	H4     2.9668     1.4923     0.8442	H	1	noname	0.1015
24	H5     0.3303     4.1465     0.7750	H	1	noname	0.0533
25	H6     1.8542     5.3602    -0.7592	H	1	noname	0.0583
26	H7     2.6227     3.6901    -1.1888	H	1	noname	0.0583
27	H8     3.2266     3.3431     1.2405	H	1	noname	0.0290
28	H9     2.4581     5.0131     1.6701	H	1	noname	0.0290
29	H10    -0.0757     3.8993    -1.4213	H	1	noname	0.2101
30	H11     1.0210     3.9596     3.1945	H	1	noname	0.0316
31	H12     1.7895     2.2896     2.7649	H	1	noname	0.0316
32	H13     1.7644     2.6514     5.4615	H	1	noname	0.0625
33	H14     4.2646     4.5553     2.5331	H	1	noname	0.0625
34	H15     3.5101     3.0111     7.1859	H	1	noname	0.0622
35	H16     6.0103     4.9150     4.2575	H	1	noname	0.0622
36	H17     5.6331     4.1429     6.5839	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	2
7	6	8	1
8	7	8	1
9	9	8	1
10	9	10	1
11	9	11	1
12	10	12	1
13	11	13	1
14	13	14	1
15	14	15	2
16	14	16	1
17	15	17	1
18	16	18	2
19	17	19	2
20	18	19	1
21	3	20	1
22	3	21	1
23	6	22	1
24	7	23	1
25	9	24	1
26	10	25	1
27	10	26	1
28	11	27	1
29	11	28	1
30	12	29	1
31	13	30	1
32	13	31	1
33	15	32	1
34	16	33	1
35	17	34	1
36	18	35	1
37	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1