@<TRIPOS>MOLECULE
71587143
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1938    -2.4023     1.1439	O.2	1	noname	-0.2955
2	C1    -0.3283     0.8351    -0.4826	C.3	1	noname	-0.0187
3	C2     0.7180    -0.2223     0.0803	C.3	1	noname	0.0440
4	C3    -0.8585     1.6969     0.7348	C.3	1	noname	-0.0461
5	C4    -0.2784    -0.2881     2.3715	C.3	1	noname	0.0206
6	C5     0.4026     1.7029    -1.5937	C.3	1	noname	-0.0434
7	C6    -1.2721     0.8582     2.0012	C.3	1	noname	-0.0427
8	C7     0.2098    -1.1533     1.1896	C.2	1	noname	0.1405
9	C8     1.4788    -0.9302    -0.9249	C.2	1	noname	-0.0727
10	C9    -1.6143     0.2242    -1.1351	C.3	1	noname	-0.0586
11	C10     1.7969     1.2007    -2.1094	C.3	1	noname	-0.0342
12	C11    -0.9355    -1.2901     3.3191	C.3	1	noname	-0.0373
13	C12     1.9601    -0.2304    -1.9688	C.2	1	noname	-0.0783
14	C13     1.7136    -2.3363    -0.8128	C.3	1	noname	-0.0432
15	C14    -1.3630    -0.5741     4.6020	C.3	1	noname	-0.0621
16	C15    -2.1642    -1.9016     2.6428	C.3	1	noname	-0.0621
17	H1     1.4795     0.3899     0.5523	H	1	noname	0.0434
18	H2    -1.7032     2.3042     0.4095	H	1	noname	0.0273
19	H3    -0.0208     2.3198     1.0484	H	1	noname	0.0273
20	H4     0.5970     0.1415     2.8639	H	1	noname	0.0385
21	H5    -0.2676     1.8474    -2.4410	H	1	noname	0.0275
22	H6     0.5968     2.6902    -1.1746	H	1	noname	0.0275
23	H7    -2.2681     0.4415     1.8516	H	1	noname	0.0274
24	H8    -1.3906     1.5253     2.8551	H	1	noname	0.0274
25	H9    -2.2608     1.0285    -1.4860	H	1	noname	0.0236
26	H10    -2.1473    -0.3743    -0.3963	H	1	noname	0.0236
27	H11    -1.3297    -0.4068    -1.9770	H	1	noname	0.0236
28	H12     1.9190     1.4792    -3.1561	H	1	noname	0.0310
29	H13     2.5262     1.6666    -1.4466	H	1	noname	0.0310
30	H14    -0.2246    -2.0795     3.5632	H	1	noname	0.0304
31	H15     2.4505    -0.7193    -2.6763	H	1	noname	0.0575
32	H16     1.2891    -2.8457    -1.6780	H	1	noname	0.0276
33	H17     1.2441    -2.7118     0.0964	H	1	noname	0.0276
34	H18     2.7866    -2.5234    -0.7715	H	1	noname	0.0276
35	H19    -2.6330    -2.6165     3.3189	H	1	noname	0.0233
36	H20    -2.8751    -1.1122     2.3987	H	1	noname	0.0233
37	H21    -1.8596    -2.4116     1.7289	H	1	noname	0.0233
38	H22    -1.8318    -1.2890     5.2781	H	1	noname	0.0233
39	H23    -2.0739     0.2152     4.3579	H	1	noname	0.0233
40	H24    -0.4877    -0.1385     5.0838	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	8	2
2	2	3	1
3	2	4	1
4	2	6	1
5	2	10	1
6	3	8	1
7	3	9	1
8	3	17	1
9	4	7	1
10	4	18	1
11	4	19	1
12	5	7	1
13	5	8	1
14	5	12	1
15	5	20	1
16	6	11	1
17	6	21	1
18	6	22	1
19	7	23	1
20	7	24	1
21	9	13	2
22	9	14	1
23	10	25	1
24	10	26	1
25	10	27	1
26	11	13	1
27	11	28	1
28	11	29	1
29	12	15	1
30	12	16	1
31	12	30	1
32	13	31	1
33	14	32	1
34	14	33	1
35	14	34	1
36	15	38	1
37	15	39	1
38	15	40	1
39	16	35	1
40	16	36	1
41	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1