@<TRIPOS>MOLECULE
101316728
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7156     1.5621    -0.6295	O.3	1	noname	-0.3889
2	O2    -1.7016     0.9417    -3.5260	O.3	1	noname	-0.3930
3	C1    -0.4636    -0.5882    -0.5846	C.3	1	noname	-0.0010
4	C2    -0.4542     0.9902    -0.2517	C.3	1	noname	0.0729
5	C3    -0.3667     1.2938     1.3250	C.3	1	noname	-0.0147
6	C4    -1.2123    -1.4583     0.4613	C.3	1	noname	-0.0450
7	C5    -0.9173    -0.8552    -2.0697	C.3	1	noname	-0.0188
8	C6     0.5822     1.7287    -1.1836	C.3	1	noname	-0.0209
9	C7    -1.4168     0.4866     2.1592	C.3	1	noname	-0.0479
10	C8    -2.1171    -0.7207     1.4714	C.3	1	noname	-0.0523
11	C9    -0.5325     0.2451    -3.1204	C.3	1	noname	0.0549
12	C10     0.5593     1.2714    -2.6833	C.3	1	noname	-0.0242
13	C11     0.8895    -1.3479    -0.4716	C.3	1	noname	-0.0568
14	C12    -0.5501     2.7509     1.8149	C.3	1	noname	-0.0597
15	H1     0.6221     0.9998     1.6986	H	1	noname	0.0329
16	H2    -1.7914    -2.2258    -0.0522	H	1	noname	0.0273
17	H3    -0.4266    -1.9124     1.0651	H	1	noname	0.0273
18	H4    -1.9941    -1.0223    -2.0963	H	1	noname	0.0299
19	H5    -0.4384    -1.7915    -2.3566	H	1	noname	0.0299
20	H6     0.4173     2.8047    -1.1293	H	1	noname	0.0297
21	H7     1.5918     1.5291    -0.8242	H	1	noname	0.0297
22	H8    -2.1710     1.1688     2.5516	H	1	noname	0.0270
23	H9    -0.8612     0.1069     3.0166	H	1	noname	0.0270
24	H10    -3.0204    -0.3776     0.9670	H	1	noname	0.0267
25	H11    -2.4764    -1.4199     2.2264	H	1	noname	0.0267
26	H12    -0.2026    -0.2466    -4.0356	H	1	noname	0.0600
27	H13     0.5138     2.1478    -3.3297	H	1	noname	0.0294
28	H14     1.5046     0.7481    -2.8275	H	1	noname	0.0294
29	H15     0.7387    -2.3979    -0.7222	H	1	noname	0.0237
30	H16     1.6109    -0.9097    -1.1613	H	1	noname	0.0237
31	H17     1.2668    -1.2682     0.5479	H	1	noname	0.0237
32	H18    -0.4625     2.7828     2.9009	H	1	noname	0.0234
33	H19    -1.5350     3.1124     1.5191	H	1	noname	0.0234
34	H20     0.2179     3.3833     1.3696	H	1	noname	0.0234
35	H21    -1.7127     2.5212    -0.4283	H	1	noname	0.2108
36	H22    -2.3339     0.3113    -3.9299	H	1	noname	0.2104
@<TRIPOS>BOND
1	4	1	1
2	1	35	1
3	11	2	1
4	2	36	1
5	3	4	1
6	3	6	1
7	3	7	1
8	3	13	1
9	4	5	1
10	4	8	1
11	5	9	1
12	5	14	1
13	5	15	1
14	6	10	1
15	6	16	1
16	6	17	1
17	7	11	1
18	7	18	1
19	7	19	1
20	8	12	1
21	8	20	1
22	8	21	1
23	9	10	1
24	9	22	1
25	9	23	1
26	10	24	1
27	10	25	1
28	11	12	1
29	11	26	1
30	12	27	1
31	12	28	1
32	13	29	1
33	13	30	1
34	13	31	1
35	14	32	1
36	14	33	1
37	14	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1