@<TRIPOS>MOLECULE
57823853
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0958     5.4078     2.9303	O.3	1	noname	-0.3308
2	O2     1.2254     3.2631     1.5300	O.3	1	noname	-0.3056
3	O3     1.2920     3.5482     3.8668	O.3	1	noname	-0.3058
4	O4    -0.5785     1.9161     2.2965	O.3	1	noname	-0.3610
5	O5     0.8291     6.0993     0.2858	O.2	1	noname	-0.2888
6	O6     1.9188     0.9279     3.0569	O.2	1	noname	-0.2786
7	C1    -0.0929     3.2415     2.0744	C.3	1	noname	0.2270
8	C2     0.0569     4.0345     3.3390	C.3	1	noname	0.2245
9	C3    -1.0794     4.1236     1.3254	C.3	1	noname	0.0431
10	C4    -0.8334     5.5397     1.8485	C.3	1	noname	0.1321
11	C5     2.0630     3.2449     2.6961	C.3	1	noname	0.2309
12	C6    -1.1492     3.8434     4.2608	C.3	1	noname	-0.0047
13	C7    -2.1463     6.1251     2.3725	C.3	1	noname	-0.0283
14	C8    -0.2488     6.4134     0.8353	C.2	1	noname	0.1535
15	C9     3.1793     4.2793     2.5385	C.3	1	noname	-0.0025
16	C10     2.6549     1.9246     2.8918	C.2	1	noname	0.1732
17	C11    -0.9232     7.6540     0.4640	C.3	1	noname	-0.0027
18	C12     4.1065     1.7685     2.8946	C.3	1	noname	0.0000
19	H1    -2.0971     3.8182     1.5686	H	1	noname	0.0358
20	H2    -0.9681     4.0515     0.2436	H	1	noname	0.0358
21	H3    -1.1981     2.8037     4.5843	H	1	noname	0.0287
22	H4    -2.0618     4.0999     3.7229	H	1	noname	0.0287
23	H5    -1.0469     4.4906     5.1319	H	1	noname	0.0287
24	H6    -2.8536     6.2255     1.5491	H	1	noname	0.0264
25	H7    -2.5630     5.4618     3.1305	H	1	noname	0.0264
26	H8    -1.9578     7.1050     2.8110	H	1	noname	0.0264
27	H9    -0.5976     1.4285     1.4466	H	1	noname	0.2138
28	H10     3.8152     4.2654     3.4237	H	1	noname	0.0290
29	H11     2.7420     5.2707     2.4208	H	1	noname	0.0290
30	H12     3.7761     4.0386     1.6587	H	1	noname	0.0290
31	H13    -1.1659     7.6316    -0.5984	H	1	noname	0.0311
32	H14    -1.8402     7.7567     1.0442	H	1	noname	0.0311
33	H15    -0.2669     8.4997     0.6690	H	1	noname	0.0311
34	H16     4.4004     1.0887     2.0948	H	1	noname	0.0312
35	H17     4.4263     1.3610     3.8536	H	1	noname	0.0312
36	H18     4.5766     2.7393     2.7374	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