@<TRIPOS>MOLECULE
57823855
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9452     1.7863     1.7042	O.3	1	noname	-0.3308
2	O2     0.8974     2.1468    -1.0715	O.3	1	noname	-0.3056
3	O3     0.2754     3.7659     0.5216	O.3	1	noname	-0.3058
4	O4     2.8558     3.4783    -0.8523	O.3	1	noname	-0.3610
5	O5     0.5660    -0.6399     0.2974	O.2	1	noname	-0.2888
6	O6    -1.4525     1.4732     0.3133	O.2	1	noname	-0.2786
7	C1     2.0110     2.4950    -0.2510	C.3	1	noname	0.2270
8	C2     1.3569     2.9720     1.0120	C.3	1	noname	0.2245
9	C3     2.7757     1.2950     0.2852	C.3	1	noname	0.0431
10	C4     1.9732     0.8115     1.4942	C.3	1	noname	0.1321
11	C5    -0.1009     3.1083    -0.6961	C.3	1	noname	0.2309
12	C6     2.3484     3.7253     1.9010	C.3	1	noname	-0.0047
13	C7     2.8839     0.7581     2.7225	C.3	1	noname	-0.0283
14	C8     1.3453    -0.4860     1.2626	C.2	1	noname	0.1535
15	C9    -0.2539     4.1459    -1.8100	C.3	1	noname	-0.0025
16	C10    -1.3611     2.3895    -0.5320	C.2	1	noname	0.1732
17	C11     1.6277    -1.6040     2.1582	C.3	1	noname	-0.0027
18	C12    -2.5145     2.7410    -1.3553	C.3	1	noname	0.0000
19	H1     2.7995     0.5114    -0.4721	H	1	noname	0.0358
20	H2     3.7606     1.6212     0.6194	H	1	noname	0.0358
21	H3     2.6753     4.6326     1.3929	H	1	noname	0.0287
22	H4     1.8650     3.9896     2.8415	H	1	noname	0.0287
23	H5     3.2113     3.0904     2.1018	H	1	noname	0.0287
24	H6     3.6663     0.0162     2.5628	H	1	noname	0.0264
25	H7     2.2964     0.4836     3.5987	H	1	noname	0.0264
26	H8     3.3377     1.7363     2.8812	H	1	noname	0.0264
27	H9     3.2051     3.1340    -1.7008	H	1	noname	0.2138
28	H10    -1.0117     4.8758    -1.5251	H	1	noname	0.0290
29	H11    -0.5570     3.6482    -2.7311	H	1	noname	0.0290
30	H12     0.6980     4.6531    -1.9673	H	1	noname	0.0290
31	H13     0.7003    -1.9427     2.6200	H	1	noname	0.0311
32	H14     2.0705    -2.4219     1.5899	H	1	noname	0.0311
33	H15     2.3230    -1.2818     2.9333	H	1	noname	0.0311
34	H16    -2.8218     1.8735    -1.9394	H	1	noname	0.0312
35	H17    -3.3367     3.0563    -0.7130	H	1	noname	0.0312
36	H18    -2.2460     3.5554    -2.0281	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	8	1
2	1	10	1
3	2	7	1
4	2	11	1
5	3	8	1
6	3	11	1
7	7	4	1
8	4	27	1
9	5	14	2
10	6	16	2
11	7	8	1
12	7	9	1
13	8	12	1
14	9	10	1
15	9	19	1
16	9	20	1
17	10	13	1
18	10	14	1
19	11	15	1
20	11	16	1
21	12	21	1
22	12	22	1
23	12	23	1
24	13	24	1
25	13	25	1
26	13	26	1
27	14	17	1
28	15	28	1
29	15	29	1
30	15	30	1
31	16	18	1
32	17	31	1
33	17	32	1
34	17	33	1
35	18	34	1
36	18	35	1
37	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1