@<TRIPOS>MOLECULE
DB02415
35 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.2694    -1.7196    -0.6641	S.2	1	noname	0.1509
2	O1     4.5782    -2.4899    -0.1934	O.2	1	noname	-0.3154
3	C1     3.7042    -0.0443    -1.1584	C.3	1	noname	0.0293
4	C2     2.0889    -1.6574     0.6933	C.3	1	noname	0.0061
5	C3     4.7076    -0.0972    -2.3122	C.3	1	noname	0.0501
6	C4     0.8294    -0.9161     0.2403	C.3	1	noname	-0.0464
7	O2     5.0507     1.2245    -2.7021	O.3	1	noname	-0.3958
8	C5    -0.1740    -0.8632     1.3941	C.3	1	noname	-0.0529
9	C6    -1.4334    -0.1220     0.9412	C.3	1	noname	-0.0533
10	C7    -2.4368    -0.0691     2.0950	C.3	1	noname	-0.0533
11	C8    -3.6963     0.6722     1.6420	C.3	1	noname	-0.0535
12	C9    -4.6997     0.7250     2.7959	C.3	1	noname	-0.0561
13	C10    -5.9591     1.4663     2.3429	C.3	1	noname	-0.0654
14	H1     2.8319     0.4445    -1.5921	H	1	noname	0.0370
15	H2     4.2564     0.4403    -0.3531	H	1	noname	0.0370
16	H3     1.7351    -2.6646     0.9135	H	1	noname	0.0346
17	H4     2.4872    -1.0327     1.4928	H	1	noname	0.0346
18	H5     5.6309    -0.5385    -1.9368	H	1	noname	0.0567
19	H6     4.2064    -0.5343    -3.1758	H	1	noname	0.0567
20	H7     1.1265     0.1122     0.0343	H	1	noname	0.0271
21	H8     0.3744    -1.5197    -0.5450	H	1	noname	0.0271
22	H9     5.1904     1.7628    -1.9197	H	1	noname	0.2100
23	H10    -0.4710    -1.8915     1.6002	H	1	noname	0.0267
24	H11     0.2811    -0.2596     2.1795	H	1	noname	0.0267
25	H12    -1.1364     0.9063     0.7351	H	1	noname	0.0266
26	H13    -1.8885    -0.7256     0.1559	H	1	noname	0.0266
27	H14    -2.7339    -1.0974     2.3011	H	1	noname	0.0266
28	H15    -1.9818     0.5345     2.8803	H	1	noname	0.0266
29	H16    -3.3992     1.7005     1.4360	H	1	noname	0.0266
30	H17    -4.1513     0.0686     0.8567	H	1	noname	0.0266
31	H18    -4.9967    -0.3033     3.0019	H	1	noname	0.0264
32	H19    -4.2446     1.3286     3.5812	H	1	noname	0.0264
33	H20    -6.5204     1.7966     3.2169	H	1	noname	0.0230
34	H21    -5.6757     2.3322     1.7445	H	1	noname	0.0230
35	H22    -6.5785     0.7982     1.7445	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	1
12	12	13	1
13	3	14	1
14	3	15	1
15	4	16	1
16	4	17	1
17	5	18	1
18	5	19	1
19	6	20	1
20	6	21	1
21	7	22	1
22	8	23	1
23	8	24	1
24	9	25	1
25	9	26	1
26	10	27	1
27	10	28	1
28	11	29	1
29	11	30	1
30	12	31	1
31	12	32	1
32	13	33	1
33	13	34	1
34	13	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1