@<TRIPOS>MOLECULE
DB02492
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.7125    -4.1814    -4.1478	S.3	1	noname	-0.4050
2	O1    -3.0512    -2.6547    -3.8517	O.3	1	noname	-0.6825
3	O2    -2.5897    -5.1296    -4.9823	O.3	1	noname	-0.6743
4	O3    -5.1136    -4.0175    -5.0786	O.3	1	noname	-0.6743
5	O4    -4.0958    -4.9239    -2.6788	O.3	1	noname	-0.6743
6	C1    -1.8739    -2.7924    -3.0697	C.3	1	noname	0.1093
7	C2    -1.2752    -1.4102    -2.8015	C.3	1	noname	0.0784
8	C3    -2.2209    -3.4646    -1.7397	C.3	1	noname	0.0551
9	O5    -0.9532    -0.7863    -4.0358	O.3	1	noname	-0.3913
10	C4    -0.0068    -1.5586    -1.9589	C.3	1	noname	0.0253
11	O6    -3.1644    -2.6680    -1.0386	O.3	1	noname	-0.3958
12	N1     0.5654    -0.2378    -1.7027	N.3	1	noname	-0.2902
13	C5     1.7712    -0.3789    -0.9017	C.3	1	noname	0.0616
14	C6     1.0924     0.3178    -2.9538	C.3	1	noname	0.0275
15	C7     2.4841     0.9580    -1.0798	C.3	1	noname	0.0989
16	C8     1.3885    -0.5609     0.5684	C.3	1	noname	0.0614
17	C9     2.1789     1.3075    -2.5407	C.3	1	noname	0.0943
18	O7     3.8829     0.7736    -0.9196	O.3	1	noname	-0.3885
19	O8     2.5657    -0.6986     1.3505	O.3	1	noname	-0.3945
20	O9     1.6671     2.6300    -2.6140	O.3	1	noname	-0.3889
21	H1    -1.2001    -3.4097    -3.6638	H	1	noname	0.0415
22	H2    -1.9972    -0.7500    -2.3211	H	1	noname	0.0617
23	H3    -2.7357    -4.4001    -1.9585	H	1	noname	0.0567
24	H4    -1.3248    -3.4678    -1.1192	H	1	noname	0.0567
25	H5    -0.7803    -1.4588    -4.6988	H	1	noname	0.2104
26	H6    -0.3024    -1.9515    -0.9861	H	1	noname	0.0457
27	H7     0.7280    -2.0922    -2.5619	H	1	noname	0.0457
28	H8    -3.0355    -2.7767    -0.0936	H	1	noname	0.2100
29	H9     2.3534    -1.2406    -1.2282	H	1	noname	0.0519
30	H10     1.5665    -0.5035    -3.4912	H	1	noname	0.0458
31	H11     0.2812     0.8774    -3.4194	H	1	noname	0.0458
32	H12     2.2352     1.7244    -0.3458	H	1	noname	0.0645
33	H13     0.9177     0.3605     0.9113	H	1	noname	0.0580
34	H14     0.8623    -1.5105     0.6653	H	1	noname	0.0580
35	H15     3.0493     1.3187    -3.1966	H	1	noname	0.0641
36	H16     4.0969     0.7453     0.0158	H	1	noname	0.2106
37	H17     2.3359    -0.6717     2.2822	H	1	noname	0.2100
38	H18     1.5349     2.9716    -1.7266	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	1	5	1
5	2	6	1
6	6	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	10	12	1
12	12	13	1
13	12	14	1
14	13	15	1
15	13	16	1
16	14	17	1
17	15	18	1
18	15	17	1
19	16	19	1
20	17	20	1
21	6	21	1
22	7	22	1
23	8	23	1
24	8	24	1
25	9	25	1
26	10	26	1
27	10	27	1
28	11	28	1
29	13	29	1
30	14	30	1
31	14	31	1
32	15	32	1
33	16	33	1
34	16	34	1
35	17	35	1
36	18	36	1
37	19	37	1
38	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1