@<TRIPOS>MOLECULE
119057998
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     0.1962     0.3232    -1.1802	C.3	1	noname	-0.0323
2	C2    -0.6679    -0.8705    -0.7296	C.3	1	noname	-0.0349
3	C3     1.5003     0.0636    -0.3359	C.3	1	noname	-0.0377
4	C4     0.2977    -1.6353     0.2156	C.3	1	noname	-0.0380
5	C5    -0.6081     1.6018    -0.8923	C.3	1	noname	-0.0352
6	C6    -1.8976     1.2070    -0.1572	C.3	1	noname	-0.0380
7	C7     1.0618    -0.5524     0.9862	C.3	1	noname	-0.0470
8	C8    -1.9472    -0.3288    -0.0619	C.3	1	noname	-0.0467
9	C9     2.3725    -1.1049    -0.8919	C.3	1	noname	-0.0499
10	C10     1.4489    -2.3031    -0.5925	C.3	1	noname	-0.0499
11	C11     0.2186     2.5356    -0.0060	C.3	1	noname	-0.0499
12	C12    -1.8855     1.8052     1.2509	C.3	1	noname	-0.0501
13	C13    -0.5946     3.7929     0.3083	C.3	1	noname	-0.0530
14	C14    -1.7988     3.3640     1.1657	C.3	1	noname	-0.0530
15	H1     0.4405     0.2754    -2.2462	H	1	noname	0.0311
16	H2    -0.8934    -1.4778    -1.6062	H	1	noname	0.0308
17	H3     2.1113     0.9631    -0.2611	H	1	noname	0.0306
18	H4    -0.2326    -2.3753     0.8151	H	1	noname	0.0306
19	H5    -0.8814     2.0159    -1.8628	H	1	noname	0.0308
20	H6    -2.7423     1.6024    -0.7213	H	1	noname	0.0306
21	H7     0.3520     0.1121     1.4790	H	1	noname	0.0272
22	H8     1.8559    -0.8966     1.6488	H	1	noname	0.0272
23	H9    -2.8213    -0.6981    -0.5984	H	1	noname	0.0272
24	H10    -1.8323    -0.5528     0.9986	H	1	noname	0.0272
25	H11     2.4848    -0.9932    -1.9703	H	1	noname	0.0269
26	H12     3.3012    -1.1892    -0.3275	H	1	noname	0.0269
27	H13     1.0537    -2.6998    -1.5278	H	1	noname	0.0269
28	H14     1.9705    -3.0278     0.0326	H	1	noname	0.0269
29	H15     0.4718     2.0250     0.9231	H	1	noname	0.0269
30	H16     1.1338     2.8158    -0.5277	H	1	noname	0.0269
31	H17    -2.7980     1.5202     1.7746	H	1	noname	0.0269
32	H18    -1.0139     1.4065     1.7701	H	1	noname	0.0269
33	H19    -0.9503     4.2373    -0.6212	H	1	noname	0.0266
34	H20    -0.0145     4.5213     0.8749	H	1	noname	0.0266
35	H21    -2.7160     3.7553     0.7256	H	1	noname	0.0266
36	H22    -1.7024     3.7404     2.1840	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	5	1
4	1	15	1
5	2	4	1
6	2	8	1
7	2	16	1
8	3	7	1
9	3	9	1
10	3	17	1
11	4	7	1
12	4	10	1
13	4	18	1
14	5	6	1
15	5	11	1
16	5	19	1
17	6	8	1
18	6	12	1
19	6	20	1
20	7	21	1
21	7	22	1
22	8	23	1
23	8	24	1
24	9	10	1
25	9	25	1
26	9	26	1
27	10	27	1
28	10	28	1
29	11	13	1
30	11	29	1
31	11	30	1
32	12	14	1
33	12	31	1
34	12	32	1
35	13	14	1
36	13	33	1
37	13	34	1
38	14	35	1
39	14	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1