@<TRIPOS>MOLECULE
92178682
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.6754     0.8370     0.9637	O.2	1	noname	-0.3053
2	C1    -0.0763    -3.3097    -0.9081	C.3	1	noname	-0.0379
3	C2     0.9165    -1.0630     0.3318	C.3	1	noname	-0.0437
4	C3     0.6593    -2.6227     0.3282	C.3	1	noname	-0.0458
5	C4    -0.3914    -0.2557     0.2522	C.3	1	noname	-0.0500
6	C5    -0.3730     1.2912     0.0763	C.3	1	noname	-0.0438
7	C6     1.7214    -0.5886     1.5721	C.3	1	noname	-0.0625
8	C7    -0.0277    -4.8634    -0.7255	C.3	1	noname	-0.0602
9	C8     0.7315    -3.1397    -2.1926	C.3	1	noname	-0.0602
10	C9    -1.5903    -2.9165    -1.1788	C.3	1	noname	-0.0602
11	C10    -1.8130     1.8592    -0.1221	C.3	1	noname	0.0117
12	C11    -1.8035     3.3760    -0.3750	C.3	1	noname	-0.0558
13	C12    -2.6318     1.5173     1.0542	C.2	1	noname	0.1249
14	H1     1.5091    -0.8116    -0.5498	H	1	noname	0.0300
15	H2     0.1015    -2.8577     1.2324	H	1	noname	0.0274
16	H3     1.6388    -3.0787     0.4804	H	1	noname	0.0274
17	H4    -1.0691    -0.5577     1.0495	H	1	noname	0.0269
18	H5    -0.8310    -0.4947    -0.7061	H	1	noname	0.0269
19	H6     0.1433     1.7722     0.9204	H	1	noname	0.0274
20	H7     0.2312     1.4904    -0.8096	H	1	noname	0.0274
21	H8     1.9418     0.4786     1.5067	H	1	noname	0.0233
22	H9     1.1492    -0.7537     2.4806	H	1	noname	0.0233
23	H10     2.6639    -1.1290     1.6554	H	1	noname	0.0233
24	H11    -2.1346    -3.6429    -1.7825	H	1	noname	0.0236
25	H12    -2.1245    -2.8916    -0.2211	H	1	noname	0.0236
26	H13    -1.7493    -1.9612    -1.7019	H	1	noname	0.0236
27	H14     0.2054    -3.6182    -3.0186	H	1	noname	0.0236
28	H15     0.8547    -2.0781    -2.4065	H	1	noname	0.0236
29	H16     1.7111    -3.6016    -2.0695	H	1	noname	0.0236
30	H17    -0.5284    -5.3438    -1.5661	H	1	noname	0.0236
31	H18    -0.5317    -5.1362     0.2017	H	1	noname	0.0236
32	H19     1.0107    -5.1922    -0.6849	H	1	noname	0.0236
33	H20    -2.2575     1.4282    -1.0114	H	1	noname	0.0376
34	H21    -2.8263     3.7287    -0.5074	H	1	noname	0.0237
35	H22    -1.3516     3.8836     0.4771	H	1	noname	0.0237
36	H23    -1.2259     3.5908    -1.2741	H	1	noname	0.0237
37	H24    -2.3148     1.7520     1.9914	H	1	noname	0.1044
@<TRIPOS>BOND
1	1	13	2
2	2	4	1
3	2	8	1
4	2	9	1
5	2	10	1
6	3	4	1
7	3	5	1
8	3	7	1
9	3	14	1
10	4	15	1
11	4	16	1
12	5	6	1
13	5	17	1
14	5	18	1
15	6	11	1
16	6	19	1
17	6	20	1
18	7	21	1
19	7	22	1
20	7	23	1
21	8	30	1
22	8	31	1
23	8	32	1
24	9	27	1
25	9	28	1
26	9	29	1
27	10	24	1
28	10	25	1
29	10	26	1
30	11	12	1
31	11	13	1
32	11	33	1
33	12	34	1
34	12	35	1
35	12	36	1
36	13	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1