@<TRIPOS>MOLECULE
76961177
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8169     0.1804    -3.0121	O.3	1	noname	-0.2076
2	O2    -2.3982    -1.3007    -4.6062	O.2	1	noname	-0.2553
3	C1    -1.0219     3.0698    -0.7135	C.3	1	noname	-0.0263
4	C2    -1.1308     1.5839    -1.1777	C.3	1	noname	0.0087
5	C3    -0.7504     3.1956     0.8295	C.3	1	noname	-0.0440
6	C4    -1.9700     0.8019    -0.2725	C.2	1	noname	-0.0761
7	C5    -1.7410     2.3460     1.6889	C.3	1	noname	-0.0342
8	C6     0.1002     3.7649    -1.4871	C.3	1	noname	-0.0592
9	C7    -2.3838     3.7154    -0.9763	C.3	1	noname	-0.0592
10	C8    -1.7178     1.5325    -2.5897	C.3	1	noname	0.0634
11	C9    -2.2282     1.1433     1.0085	C.2	1	noname	-0.0803
12	C10    -2.5554    -0.4021    -0.7751	C.3	1	noname	-0.0435
13	C11    -2.3110    -0.1105    -4.2343	C.2	1	noname	0.1384
14	C12    -2.7434     0.9652    -5.1218	C.3	1	noname	0.0220
15	H1    -0.1470     1.1147    -1.1881	H	1	noname	0.0378
16	H2    -0.8177     4.2423     1.1261	H	1	noname	0.0275
17	H3     0.2447     2.7871     1.0055	H	1	noname	0.0275
18	H4    -2.5884     2.9647     1.9844	H	1	noname	0.0310
19	H5    -1.3029     2.0769     2.6500	H	1	noname	0.0310
20	H6     0.1763     4.8027    -1.1628	H	1	noname	0.0236
21	H7    -0.1201     3.7328    -2.5541	H	1	noname	0.0236
22	H8     1.0440     3.2543    -1.2955	H	1	noname	0.0236
23	H9    -2.3566     4.7600    -0.6662	H	1	noname	0.0236
24	H10    -3.1514     3.1881    -0.4098	H	1	noname	0.0236
25	H11    -2.6138     3.6582    -2.0403	H	1	noname	0.0236
26	H12    -2.7090     1.9861    -2.5878	H	1	noname	0.0579
27	H13    -1.0689     2.0800    -3.2731	H	1	noname	0.0579
28	H14    -2.7968     0.5264     1.5342	H	1	noname	0.0575
29	H15    -3.6414    -0.3314    -0.7133	H	1	noname	0.0276
30	H16    -2.2591    -0.5438    -1.8145	H	1	noname	0.0276
31	H17    -2.2120    -1.2488    -0.1808	H	1	noname	0.0276
32	H18    -3.8003     0.8395    -5.3568	H	1	noname	0.0336
33	H19    -2.5925     1.9256    -4.6290	H	1	noname	0.0336
34	H20    -2.1603     0.9334    -6.0421	H	1	noname	0.0336
@<TRIPOS>BOND
1	1	10	1
2	1	13	1
3	2	13	2
4	3	4	1
5	3	5	1
6	3	8	1
7	3	9	1
8	4	6	1
9	4	10	1
10	4	15	1
11	5	7	1
12	5	16	1
13	5	17	1
14	6	11	2
15	6	12	1
16	7	11	1
17	7	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	9	24	1
24	9	25	1
25	10	26	1
26	10	27	1
27	11	28	1
28	12	29	1
29	12	30	1
30	12	31	1
31	13	14	1
32	14	32	1
33	14	33	1
34	14	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1