@<TRIPOS>MOLECULE
DB06951
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0862    -1.4881     0.2887	S	1	noname	-0.1176
2	O1    -2.5481    -2.0215    -0.0376	O.2	1	noname	-0.1981
3	O2    -0.2787    -2.6058     1.0804	O.2	1	noname	-0.1981
4	N1    -1.1967    -0.0584     1.2601	N.3	1	noname	0.0079
5	C1    -0.2638    -1.1198    -1.1881	C.2	1	noname	0.0084
6	C2    -1.4047    -0.4337     2.6577	C.3	1	noname	0.1223
7	C3    -0.5641    -1.8276    -2.3461	C.2	1	noname	0.0103
8	C4     0.6974    -0.1161    -1.2167	C.2	1	noname	0.0103
9	C5    -2.7011    -1.2366     2.7826	C.2	1	noname	0.1448
10	C6    -1.4979     0.7714     3.4765	C.3	1	noname	0.0708
11	C7     0.0967    -1.5316    -3.5326	C.2	1	noname	-0.0420
12	C8     1.3582     0.1799    -2.4032	C.2	1	noname	-0.0420
13	O3    -2.6723    -2.4054     3.2248	O.2	1	noname	-0.2489
14	O4    -3.8762    -0.6827     2.4152	O.3	1	noname	-0.2134
15	C9    -0.2608     1.5376     3.3573	C.2	1	noname	0.1375
16	C10    -1.7156     0.3787     4.9391	C.3	1	noname	-0.0418
17	C11     1.0578    -0.5279    -3.5612	C.2	1	noname	-0.0278
18	O5    -0.2896     2.7064     2.9151	O.2	1	noname	-0.2541
19	O6     0.9143     0.9837     3.7247	O.3	1	noname	-0.2175
20	C12    -1.8132     1.6416     5.7972	C.3	1	noname	-0.0645
21	C13     1.7519    -0.2170    -4.8075	C.3	1	noname	0.0024
22	H1    -1.1436     0.9232     1.0283	H	1	noname	0.1452
23	H2    -0.5378    -1.0043     2.9907	H	1	noname	0.0596
24	H3    -1.3178    -2.6147    -2.3237	H	1	noname	0.0639
25	H4     0.9329     0.4390    -0.3086	H	1	noname	0.0639
26	H5    -2.3145     1.3820     3.0914	H	1	noname	0.0431
27	H6    -0.1389    -2.0867    -4.4407	H	1	noname	0.0625
28	H7     2.1119     0.9670    -2.4256	H	1	noname	0.0625
29	H8    -4.3775    -0.4464     3.1991	H	1	noname	0.2213
30	H9    -2.6869    -0.1132     4.9916	H	1	noname	0.0272
31	H10    -0.8184    -0.1510     5.2596	H	1	noname	0.0272
32	H11     0.9700     0.9574     4.6827	H	1	noname	0.2213
33	H12    -1.7919     1.3669     6.8518	H	1	noname	0.0231
34	H13    -0.9712     2.2974     5.5756	H	1	noname	0.0231
35	H14    -2.7459     2.1603     5.5756	H	1	noname	0.0231
36	H15     2.0311    -1.1438    -5.3088	H	1	noname	0.0279
37	H16     1.0938     0.3624    -5.4551	H	1	noname	0.0279
38	H17     2.6489     0.3624    -4.5890	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	6	4	1
6	5	7	2
7	5	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	2
13	9	14	1
14	10	15	1
15	10	16	1
16	11	17	2
17	12	17	1
18	15	18	2
19	15	19	1
20	16	20	1
21	17	21	1
22	4	22	1
23	6	23	1
24	7	24	1
25	8	25	1
26	10	26	1
27	11	27	1
28	12	28	1
29	14	29	1
30	16	30	1
31	16	31	1
32	19	32	1
33	20	33	1
34	20	34	1
35	20	35	1
36	21	36	1
37	21	37	1
38	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1