@<TRIPOS>MOLECULE
101339724
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.8497    -3.5155     3.6336	O.3	1	noname	-0.3408
2	O2    -2.2109    -2.4503     0.9161	O.3	1	noname	-0.3874
3	O3    -3.7666     0.1209     1.5281	O.3	1	noname	-0.3873
4	O4    -4.6990    -2.5547     5.4841	O.3	1	noname	-0.1817
5	O5    -6.0914    -0.6655     3.0479	O.3	1	noname	-0.3849
6	O6    -1.6694    -3.5607     5.4357	O.3	1	noname	-0.3934
7	O7    -6.5569    -1.1210     5.7133	O.2	1	noname	-0.2531
8	O8    -2.9782    -2.2962     7.4832	O.3	1	noname	-0.2784
9	O9    -7.4730    -1.2657    10.6592	O.3	1	noname	-0.2868
10	C1    -2.6006    -1.9173     2.1732	C.3	1	noname	0.1112
11	C2    -3.9749    -1.1920     2.0274	C.3	1	noname	0.1134
12	C3    -2.5400    -3.0355     3.2513	C.3	1	noname	0.1124
13	C4    -4.7758    -1.1216     3.3268	C.3	1	noname	0.1339
14	C5    -4.8476    -2.5291     4.0591	C.3	1	noname	0.1956
15	C6    -1.8075    -2.5120     4.4884	C.3	1	noname	0.0722
16	C7    -5.6189    -1.7648     6.2312	C.2	1	noname	0.1070
17	C8    -5.3498    -1.7867     7.6684	C.2	1	noname	0.0304
18	C9    -4.0583    -2.0598     8.2579	C.2	1	noname	0.0355
19	C10    -6.5155    -1.5055     8.4587	C.2	1	noname	0.0298
20	C11    -6.4003    -1.5200     9.8800	C.2	1	noname	0.0028
21	C12    -3.9565    -2.0724     9.6841	C.2	1	noname	-0.0057
22	C13    -5.1250    -1.8093    10.4658	C.2	1	noname	0.0013
23	H1    -1.8646    -1.1622     2.4494	H	1	noname	0.0657
24	H2    -4.5824    -1.7625     1.3249	H	1	noname	0.0658
25	H3    -1.9261    -3.8638     2.8976	H	1	noname	0.0657
26	H4    -4.2403    -0.4450     3.9928	H	1	noname	0.0682
27	H5    -5.8242    -2.9558     3.8210	H	1	noname	0.0957
28	H6    -2.3789    -1.6958     4.9306	H	1	noname	0.0591
29	H7    -0.8205    -2.1502     4.2003	H	1	noname	0.0591
30	H8    -2.1290    -1.7231     0.2642	H	1	noname	0.2106
31	H9    -3.3287     0.0717     0.6527	H	1	noname	0.2106
32	H10    -6.0490     0.2253     2.6416	H	1	noname	0.2108
33	H11    -1.1557    -4.2945     5.0381	H	1	noname	0.2101
34	H12    -7.4089    -1.2993     8.0118	H	1	noname	0.0659
35	H13    -3.0636    -2.2663    10.1375	H	1	noname	0.0651
36	H14    -5.0473    -1.8285    11.4827	H	1	noname	0.0650
37	H15    -2.1975    -2.4599     8.0525	H	1	noname	0.2182
38	H16    -8.2537    -1.0904    10.0933	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	12	1
2	1	14	1
3	10	2	1
4	2	30	1
5	11	3	1
6	3	31	1
7	14	4	1
8	4	16	1
9	13	5	1
10	5	32	1
11	6	15	1
12	6	33	1
13	7	16	2
14	8	18	1
15	8	37	1
16	9	20	1
17	9	38	1
18	10	11	1
19	10	12	1
20	10	23	1
21	11	13	1
22	11	24	1
23	12	15	1
24	12	25	1
25	13	14	1
26	13	26	1
27	14	27	1
28	15	28	1
29	15	29	1
30	16	17	1
31	17	18	2
32	17	19	1
33	18	21	1
34	19	20	2
35	19	34	1
36	20	22	1
37	21	22	2
38	21	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1