@<TRIPOS>MOLECULE
DB06904
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6803    -0.1533    -0.8908	S.3	1	noname	-0.1042
2	C1     0.1558     0.6056    -0.5755	C.2	1	noname	0.0152
3	C2     1.9680    -0.9666     0.7258	C.3	1	noname	0.0737
4	C3    -0.1096     0.2716     0.6883	C.2	1	noname	0.0003
5	N1     0.7726    -0.4986     1.3403	N.3	1	noname	-0.1124
6	C4     3.1776    -0.3271     1.4105	C.3	1	noname	0.0665
7	C5    -1.2459     0.7014     1.2995	C.2	1	noname	0.1013
8	C6     4.4141    -0.4988     0.5259	C.2	1	noname	0.1283
9	C7     3.4021    -0.9618     2.6720	C.3	1	noname	0.0762
10	O1    -1.4786     0.3788     2.4845	O.2	1	noname	-0.2517
11	O2    -2.1226     1.4765     0.6264	O.3	1	noname	-0.2000
12	O3     5.0134     0.4825     0.1180	O.2	1	noname	-0.3032
13	O4     4.5247    -0.3682     3.3074	O.3	1	noname	-0.2052
14	C8     3.6692    -2.4522     2.4527	C.3	1	noname	-0.0372
15	C9    -3.3091     1.9253     1.2646	C.3	1	noname	0.0747
16	C10     4.3830     0.2260     4.5113	C.2	1	noname	0.1394
17	C11    -4.0680     2.7238     0.3527	C.2	1	noname	-0.0778
18	O5     5.3712     0.7485     5.0707	O.2	1	noname	-0.2551
19	C12     3.0754     0.2582     5.1600	C.3	1	noname	0.0220
20	C13    -5.2256     3.2539     0.7374	C.2	1	noname	-0.0885
21	H1    -0.5597     1.2266    -1.1145	H	1	noname	0.0716
22	H2     2.1196    -2.0316     0.9018	H	1	noname	0.0597
23	H3     0.5364    -0.7264     2.2955	H	1	noname	0.1295
24	H4     2.9948     0.7240     1.6340	H	1	noname	0.0432
25	H5     4.9100    -1.3959     0.1551	H	1	noname	0.1046
26	H6     2.5341    -0.7665     3.3018	H	1	noname	0.0615
27	H7     3.7586    -2.9512     3.4177	H	1	noname	0.0257
28	H8     2.8436    -2.8907     1.8921	H	1	noname	0.0257
29	H9     4.5957    -2.5767     1.8921	H	1	noname	0.0257
30	H10    -3.9038     1.0373     1.4787	H	1	noname	0.0618
31	H11    -2.9977     2.5817     2.0771	H	1	noname	0.0618
32	H12    -3.7537     2.9354    -0.6693	H	1	noname	0.0594
33	H13     3.2065     0.2550     6.2421	H	1	noname	0.0336
34	H14     2.5437     1.1616     4.8612	H	1	noname	0.0336
35	H15     2.4998    -0.6178     4.8612	H	1	noname	0.0336
36	H16    -5.3069     4.3293     0.8950	H	1	noname	0.0535
37	H17    -6.0929     2.6128     0.8950	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	3	1	1
3	2	4	2
4	3	5	1
5	3	6	1
6	4	7	1
7	4	5	1
8	6	8	1
9	6	9	1
10	7	10	2
11	7	11	1
12	8	12	2
13	9	13	1
14	9	14	1
15	11	15	1
16	13	16	1
17	15	17	1
18	16	18	2
19	16	19	1
20	17	20	2
21	2	21	1
22	3	22	1
23	5	23	1
24	6	24	1
25	8	25	1
26	9	26	1
27	14	27	1
28	14	28	1
29	14	29	1
30	15	30	1
31	15	31	1
32	17	32	1
33	19	33	1
34	19	34	1
35	19	35	1
36	20	36	1
37	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1