@<TRIPOS>MOLECULE
DB02894
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.4681     3.4530    -1.6771	S	1	noname	0.0276
2	O1     2.7912     4.7445    -1.0025	O.2	1	noname	-0.1268
3	O2     5.0585     3.4578    -1.5609	O.2	1	noname	-0.1268
4	O3     2.9714     3.3304    -3.3015	O.3	1	noname	-0.0998
5	O4     2.8685     1.9986    -1.0106	O.3	1	noname	-0.1001
6	C1     1.6921     2.7711    -3.0131	C.3	1	noname	0.1450
7	C2     1.8479     1.6473    -1.9421	C.3	1	noname	0.1373
8	C3     0.8823     2.4129    -4.2923	C.3	1	noname	0.1480
9	C4     2.0171     0.2713    -2.6450	C.3	1	noname	0.0813
10	O5    -0.1744     3.3410    -4.4719	O.3	1	noname	-0.3384
11	C5     0.1611     1.0539    -4.2176	C.3	1	noname	0.2262
12	O6     0.8941    -0.0202    -3.5449	O.3	1	noname	-0.3425
13	C6    -1.3618     2.6880    -4.0075	C.3	1	noname	0.1669
14	O7    -1.0354     1.3819    -3.5205	O.3	1	noname	-0.3136
15	C7    -0.3451     0.6652    -5.6082	C.3	1	noname	0.1283
16	C8    -1.9885     3.5108    -2.8800	C.3	1	noname	-0.0106
17	C9    -2.2968     2.5166    -5.2063	C.3	1	noname	-0.0106
18	O8    -1.0095    -0.5877    -5.5368	O.3	1	noname	-0.1289
19	S2    -1.5687    -1.0171    -7.0728	S	1	noname	-0.0675
20	O9    -0.7401    -2.2635    -7.6092	O.2	1	noname	-0.1634
21	O10    -3.1091    -1.4017    -6.9876	O.2	1	noname	-0.1634
22	N1    -1.3665     0.3197    -8.1553	N.3	1	noname	0.0230
23	H1     1.1335     3.5953    -2.5694	H	1	noname	0.0682
24	H2     1.0053     1.5666    -1.2554	H	1	noname	0.0677
25	H3     1.5750     2.4649    -5.1324	H	1	noname	0.0692
26	H4     2.8917     0.3425    -3.2917	H	1	noname	0.0596
27	H5     1.9718    -0.4958    -1.8721	H	1	noname	0.0596
28	H6    -1.1103     1.3838    -5.9020	H	1	noname	0.0644
29	H7     0.5211     0.4990    -6.2486	H	1	noname	0.0644
30	H8    -2.4058     2.8398    -2.1292	H	1	noname	0.0285
31	H9    -1.2252     4.1394    -2.4214	H	1	noname	0.0285
32	H10    -2.7809     4.1394    -3.2862	H	1	noname	0.0285
33	H11    -2.4480     1.4547    -5.4002	H	1	noname	0.0285
34	H12    -3.2561     2.9865    -4.9890	H	1	noname	0.0285
35	H13    -1.8525     2.9865    -6.0838	H	1	noname	0.0285
36	H14    -0.4427     0.5787    -8.4709	H	1	noname	0.1423
37	H15    -2.1724     0.8403    -8.4709	H	1	noname	0.1423
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	6	4	1
6	7	5	1
7	6	8	1
8	6	7	1
9	7	9	1
10	8	10	1
11	8	11	1
12	9	12	1
13	10	13	1
14	11	14	1
15	11	15	1
16	11	12	1
17	13	16	1
18	13	17	1
19	13	14	1
20	15	18	1
21	18	19	1
22	19	20	2
23	19	21	2
24	19	22	1
25	6	23	1
26	7	24	1
27	8	25	1
28	9	26	1
29	9	27	1
30	15	28	1
31	15	29	1
32	16	30	1
33	16	31	1
34	16	32	1
35	17	33	1
36	17	34	1
37	17	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1