@<TRIPOS>MOLECULE
DB04700
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.2155    -1.6922     0.4483	S.2	1	noname	0.1603
2	O1     3.3538    -3.1525     1.0621	O.2	1	noname	-0.2693
3	O2     3.9710    -1.6424    -1.0626	O.3	1	noname	-0.2289
4	C1     1.4728    -1.2824     0.2616	C.3	1	noname	0.0577
5	C2     1.3458     0.0584    -0.3019	C.3	1	noname	0.0970
6	N1    -0.0193     0.3795    -0.4482	N.3	1	noname	-0.0717
7	C3     2.0297     0.1036    -1.6698	C.2	1	noname	0.0490
8	C4    -0.8210     0.4023     0.6254	C.2	1	noname	0.0406
9	O3     2.9788     0.8925    -1.8684	O.2	1	noname	-0.2900
10	N2     1.6113    -0.7026    -2.6550	N.3	1	noname	-0.0675
11	O4    -2.0312     0.6869     0.4957	O.2	1	noname	-0.2961
12	C5    -0.2808     0.0948     1.9464	C.3	1	noname	0.0232
13	C6     2.2416    -0.6611    -3.9156	C.3	1	noname	0.0888
14	C7    -0.4787     1.2976     2.8710	C.3	1	noname	-0.0201
15	C8     1.6076    -1.6264    -4.8088	C.2	1	noname	0.1423
16	C9     0.0873     0.9753     4.2554	C.3	1	noname	0.0917
17	O5     2.2816    -2.5542    -5.3062	O.2	1	noname	-0.2506
18	O6     0.2933    -1.5171    -5.0975	O.3	1	noname	-0.2148
19	N3    -0.1018     2.1248     5.1389	N.3	1	noname	-0.3194
20	C10     1.5122     0.6783     4.1415	C.2	1	noname	0.1437
21	O7     1.9485    -0.4376     4.4976	O.2	1	noname	-0.2496
22	O8     2.3587     1.6090     3.6517	O.3	1	noname	-0.2140
23	H1     4.1259    -2.5377    -1.3726	H	1	noname	0.2213
24	H2     1.0173    -1.9143    -0.5008	H	1	noname	0.0394
25	H3     1.0026    -1.1839     1.2401	H	1	noname	0.0394
26	H4     1.7569     0.7812     0.4029	H	1	noname	0.0571
27	H5    -0.4329     0.5983    -1.3433	H	1	noname	0.1318
28	H6     0.8418    -1.3248    -2.4529	H	1	noname	0.1316
29	H7    -0.8876    -0.7229     2.3355	H	1	noname	0.0361
30	H8     0.7918    -0.0408     1.8076	H	1	noname	0.0361
31	H9     2.0473     0.3325    -4.3196	H	1	noname	0.0541
32	H10     3.2672    -0.9925    -3.7534	H	1	noname	0.0541
33	H11     0.1253     2.1092     2.4652	H	1	noname	0.0293
34	H12    -1.5541     1.4271     2.9931	H	1	noname	0.0293
35	H13    -0.4042     0.1134     4.7066	H	1	noname	0.0571
36	H14    -0.2111    -1.4751    -4.2817	H	1	noname	0.2213
37	H15     0.6959     2.6638     5.4441	H	1	noname	0.1191
38	H16    -1.0302     2.3798     5.4441	H	1	noname	0.1191
39	H17     2.7803     2.0725     4.3790	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	10	13	1
13	12	14	1
14	13	15	1
15	14	16	1
16	15	17	2
17	15	18	1
18	16	19	1
19	16	20	1
20	20	21	2
21	20	22	1
22	3	23	1
23	4	24	1
24	4	25	1
25	5	26	1
26	6	27	1
27	10	28	1
28	12	29	1
29	12	30	1
30	13	31	1
31	13	32	1
32	14	33	1
33	14	34	1
34	16	35	1
35	18	36	1
36	19	37	1
37	19	38	1
38	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1