@<TRIPOS>MOLECULE
57823852
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5326     1.4657     1.1429	O.3	1	noname	-0.3308
2	O2     1.1698    -0.0663    -0.9128	O.3	1	noname	-0.3056
3	O3     1.9419     2.1242    -0.7081	O.3	1	noname	-0.3058
4	O4     0.8938     0.5766     1.3381	O.3	1	noname	-0.3610
5	O5     3.2694     1.2687     3.8236	O.2	1	noname	-0.2888
6	O6    -1.3015     1.0041    -0.6868	O.2	1	noname	-0.2786
7	C1     1.8447     0.1151     0.3550	C.3	1	noname	0.2270
8	C2     2.8584     1.1534    -0.1229	C.3	1	noname	0.2245
9	C3     2.8451    -0.8134     1.0929	C.3	1	noname	0.0431
10	C4     3.8862     0.1858     1.7668	C.3	1	noname	0.1321
11	C5     0.9708     1.3051    -1.4435	C.3	1	noname	0.2309
12	C6     3.9174     0.7280    -1.2220	C.3	1	noname	-0.0047
13	C7     5.4606     0.0429     1.5394	C.3	1	noname	-0.0283
14	C8     3.6992     0.2372     3.2583	C.2	1	noname	0.1535
15	C9     1.1895     1.4061    -3.0207	C.3	1	noname	-0.0025
16	C10    -0.4418     1.7793    -1.1667	C.2	1	noname	0.1732
17	C11     4.0220    -0.8796     4.1783	C.3	1	noname	-0.0027
18	C12    -0.9551     3.1363    -1.4562	C.3	1	noname	0.0000
19	H1     2.2908    -1.4134     1.8374	H	1	noname	0.0358
20	H2     3.3039    -1.4985     0.4007	H	1	noname	0.0358
21	H3     3.4966     0.3454    -2.1348	H	1	noname	0.0287
22	H4     4.5089    -0.1392    -0.9669	H	1	noname	0.0287
23	H5     4.5321     1.5809    -1.4892	H	1	noname	0.0287
24	H6     5.8183    -0.9507     1.7835	H	1	noname	0.0264
25	H7     5.9976     0.7706     2.1329	H	1	noname	0.0264
26	H8     5.8538     0.2724     0.5509	H	1	noname	0.0264
27	H9     0.3524    -0.2125     1.5495	H	1	noname	0.2138
28	H10     1.0011     2.4184    -3.3938	H	1	noname	0.0290
29	H11     0.5323     0.7070    -3.5428	H	1	noname	0.0290
30	H12     2.1867     1.1934    -3.3868	H	1	noname	0.0290
31	H13     3.4112    -1.7464     3.9260	H	1	noname	0.0311
32	H14     3.8156    -0.5760     5.2047	H	1	noname	0.0311
33	H15     5.0766    -1.1374     4.0808	H	1	noname	0.0311
34	H16    -0.3929     3.8687    -0.8769	H	1	noname	0.0312
35	H17    -2.0096     3.1911    -1.1858	H	1	noname	0.0312
36	H18    -0.8411     3.3488    -2.5192	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