@<TRIPOS>MOLECULE
DB01094
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5571     1.5863    -1.5696	O.2	1	noname	-0.2911
2	C1    -1.8750     2.2904    -0.7940	C.2	1	noname	0.1149
3	C2    -2.4646     3.2950     0.1193	C.2	1	noname	0.0183
4	C3    -0.3109     2.1936    -0.6955	C.3	1	noname	0.0421
5	C4    -1.8022     4.5452     0.1752	C.2	1	noname	0.0533
6	C5    -3.3761     2.9465     1.1092	C.2	1	noname	0.0519
7	C6     0.2978     3.6386    -0.8233	C.3	1	noname	0.0966
8	O2    -0.6362     4.7539    -0.5803	O.3	1	noname	-0.2588
9	C7    -2.2720     5.5434     1.0208	C.2	1	noname	-0.0052
10	O3    -4.0076     1.7546     1.0558	O.3	1	noname	-0.2756
11	C8    -3.6373     3.8253     2.1540	C.2	1	noname	-0.0063
12	C9     0.9097     3.7942    -2.1397	C.2	1	noname	-0.0449
13	C10    -3.1915     5.1769     2.0357	C.2	1	noname	0.0315
14	C11     2.2650     4.0840    -2.2462	C.2	1	noname	-0.0116
15	C12     0.1371     3.6527    -3.2864	C.2	1	noname	-0.0517
16	O4    -3.6488     6.1116     2.8958	O.3	1	noname	-0.2811
17	C13     2.8476     4.2322    -3.4995	C.2	1	noname	0.0271
18	C14     0.7197     3.8009    -4.5397	C.2	1	noname	-0.0193
19	O5     4.1639     4.5136    -3.6029	O.3	1	noname	-0.2756
20	C15     2.0750     4.0906    -4.6462	C.2	1	noname	0.0241
21	O6     2.6408     4.2346    -5.8634	O.3	1	noname	-0.2676
22	C16     3.1171     2.9757    -6.3158	C.3	1	noname	0.0424
23	H1    -0.0784     1.8388     0.3086	H	1	noname	0.0381
24	H2     0.0265     1.6290    -1.5647	H	1	noname	0.0381
25	H3     1.0558     3.7802    -0.0530	H	1	noname	0.0665
26	H4    -1.9332     6.5715     0.8932	H	1	noname	0.0677
27	H5    -4.1741     1.4404     1.9476	H	1	noname	0.2182
28	H6    -4.1721     3.4677     3.0338	H	1	noname	0.0677
29	H7     2.8709     4.1950    -1.3469	H	1	noname	0.0654
30	H8    -0.9257     3.4255    -3.2029	H	1	noname	0.0627
31	H9    -3.5038     5.8152     3.7973	H	1	noname	0.2181
32	H10     0.1138     3.6899    -5.4390	H	1	noname	0.0651
33	H11     4.5438     4.5948    -2.7250	H	1	noname	0.2183
34	H12     3.3549     2.3473    -5.4575	H	1	noname	0.0535
35	H13     2.3487     2.4917    -6.9186	H	1	noname	0.0535
36	H14     4.0135     3.1216    -6.9186	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	6	11	2
11	7	12	1
12	7	8	1
13	9	13	2
14	11	13	1
15	12	14	2
16	12	15	1
17	13	16	1
18	14	17	1
19	15	18	2
20	17	19	1
21	17	20	2
22	18	20	1
23	20	21	1
24	21	22	1
25	4	23	1
26	4	24	1
27	7	25	1
28	9	26	1
29	10	27	1
30	11	28	1
31	14	29	1
32	15	30	1
33	16	31	1
34	18	32	1
35	19	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1