@<TRIPOS>MOLECULE
DB06984
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.8367     0.3743    -2.6298	S.3	1	noname	-0.1573
2	C1    -3.6557    -0.9779    -1.7691	C.3	1	noname	0.0511
3	C2    -1.4124    -0.2616    -3.5281	C.3	1	noname	-0.0179
4	C3    -4.1135    -2.0107    -2.7734	C.3	1	noname	0.0960
5	C4    -4.9689    -0.4784    -1.1690	C.3	1	noname	0.0504
6	O1    -3.1165    -3.0126    -2.9099	O.3	1	noname	-0.3890
7	C5    -5.3287    -2.5951    -2.0460	C.3	1	noname	0.1085
8	N1    -4.6910     0.4383    -0.0682	N.3	1	noname	-0.3062
9	C6    -5.7054    -1.7730    -0.8187	C.3	1	noname	0.0990
10	O2    -5.0480    -3.9305    -1.6531	O.3	1	noname	-0.3875
11	C7    -5.9481     0.9803     0.4770	C.3	1	noname	0.0210
12	O3    -5.1196    -2.3528     0.3375	O.3	1	noname	-0.3885
13	C8    -5.6547     1.8683     1.5716	C.2	1	noname	-0.0488
14	C9    -5.5312     1.3426     2.9048	C.2	1	noname	-0.0532
15	C10    -5.5076     3.2656     1.2694	C.2	1	noname	-0.0532
16	C11    -5.2465     2.2541     3.9677	C.2	1	noname	-0.0595
17	C12    -5.2230     4.1644     2.3407	C.2	1	noname	-0.0595
18	C13    -5.0987     3.6430     3.6646	C.2	1	noname	-0.0613
19	H1    -3.0736    -1.4787    -0.9955	H	1	noname	0.0461
20	H2    -0.6566    -0.5990    -2.8190	H	1	noname	0.0344
21	H3    -1.7219    -1.0981    -4.1547	H	1	noname	0.0344
22	H4    -0.9962     0.5272    -4.1547	H	1	noname	0.0344
23	H5    -4.2666    -1.6568    -3.7929	H	1	noname	0.0640
24	H6    -5.5935     0.1629    -1.7908	H	1	noname	0.0505
25	H7    -2.8305    -3.3000    -2.0398	H	1	noname	0.2106
26	H8    -6.1798    -2.6493    -2.7248	H	1	noname	0.0656
27	H9    -3.7654     0.6642     0.2667	H	1	noname	0.1229
28	H10    -6.7614    -1.7061    -0.5570	H	1	noname	0.0645
29	H11    -5.0363    -3.9864    -0.6948	H	1	noname	0.2106
30	H12    -6.3994     1.5932    -0.3032	H	1	noname	0.0478
31	H13    -6.5023     0.1429     0.9011	H	1	noname	0.0478
32	H14    -5.1546    -3.3097     0.2684	H	1	noname	0.2106
33	H15    -5.6505     0.2778     3.1051	H	1	noname	0.0626
34	H16    -5.6097     3.6359     0.2493	H	1	noname	0.0626
35	H17    -5.1439     1.8960     4.9921	H	1	noname	0.0622
36	H18    -5.1027     5.2309     2.1509	H	1	noname	0.0622
37	H19    -4.8817     4.3348     4.4785	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	2	4	1
4	2	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	7	10	1
10	7	9	1
11	8	11	1
12	9	12	1
13	11	13	1
14	13	14	2
15	13	15	1
16	14	16	1
17	15	17	2
18	16	18	2
19	17	18	1
20	2	19	1
21	3	20	1
22	3	21	1
23	3	22	1
24	4	23	1
25	5	24	1
26	6	25	1
27	7	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	14	33	1
35	15	34	1
36	16	35	1
37	17	36	1
38	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1