@<TRIPOS>MOLECULE
119057576
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1    -0.1614    -2.8563    -0.2694	C.3	1	noname	0.0132
2	C2    -0.9287    -2.2667     2.2076	C.3	1	noname	0.0132
3	C3     0.1525    -2.0849     1.0854	C.3	1	noname	-0.0394
4	C4    -1.6746    -3.3282    -0.5068	C.3	1	noname	-0.0463
5	C5    -2.4024    -2.0745     1.7172	C.3	1	noname	-0.0463
6	C6    -2.7224    -2.4462     0.2347	C.3	1	noname	-0.0521
7	C7     0.3408    -2.0620    -1.4480	C.2	1	noname	-0.0562
8	C8    -0.7789    -3.5650     2.9407	C.2	1	noname	-0.0562
9	C9     1.6989    -2.1247    -1.8287	C.2	1	noname	-0.0633
10	C10    -0.5227    -1.2389    -2.2164	C.2	1	noname	-0.0633
11	C11    -0.4874    -3.6494     4.3224	C.2	1	noname	-0.0633
12	C12    -0.8352    -4.8069     2.2610	C.2	1	noname	-0.0633
13	C13     2.1582    -1.4323    -2.9589	C.2	1	noname	-0.0629
14	C14    -0.0658    -0.5715    -3.3569	C.2	1	noname	-0.0629
15	C15    -0.3254    -4.9029     4.9380	C.2	1	noname	-0.0629
16	C16    -0.7591    -6.0564     2.8334	C.2	1	noname	-0.0629
17	C17     1.2754    -0.6713    -3.7332	C.2	1	noname	-0.0685
18	C18    -0.4754    -6.1021     4.1993	C.2	1	noname	-0.0685
19	H1     0.4427    -3.7710    -0.2168	H	1	noname	0.0352
20	H2    -0.7687    -1.4475     2.9314	H	1	noname	0.0352
21	H3     0.2642    -1.0071     0.9022	H	1	noname	0.0279
22	H4     1.1216    -2.4289     1.4910	H	1	noname	0.0279
23	H5    -1.8618    -3.4319    -1.5798	H	1	noname	0.0273
24	H6    -1.9214    -4.3683    -0.2739	H	1	noname	0.0273
25	H7    -3.0793    -2.6125     2.3809	H	1	noname	0.0273
26	H8    -2.6510    -1.0167     1.8031	H	1	noname	0.0273
27	H9    -3.7009    -2.9236     0.1829	H	1	noname	0.0267
28	H10    -2.7290    -1.4979    -0.3026	H	1	noname	0.0267
29	H11     2.3567    -2.6765    -1.2819	H	1	noname	0.0625
30	H12    -1.5036    -1.1233    -1.9707	H	1	noname	0.0625
31	H13    -0.3650    -2.7752     4.8715	H	1	noname	0.0625
32	H14    -0.8767    -4.8650     1.2809	H	1	noname	0.0625
33	H15     3.1377    -1.4886    -3.2181	H	1	noname	0.0622
34	H16    -0.7126    -0.0138    -3.9121	H	1	noname	0.0622
35	H17    -0.1041    -4.9511     5.9230	H	1	noname	0.0622
36	H18    -0.8650    -6.8898     2.2236	H	1	noname	0.0622
37	H19     1.6091    -0.1867    -4.5679	H	1	noname	0.0622
38	H20    -0.3568    -7.0289     4.6171	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	3	1
2	1	4	1
3	1	7	1
4	1	19	1
5	2	3	1
6	2	5	1
7	2	8	1
8	2	20	1
9	3	21	1
10	3	22	1
11	4	6	1
12	4	23	1
13	4	24	1
14	5	6	1
15	5	25	1
16	5	26	1
17	6	27	1
18	6	28	1
19	7	9	2
20	7	10	1
21	8	11	2
22	8	12	1
23	9	13	1
24	9	29	1
25	10	14	2
26	10	30	1
27	11	15	1
28	11	31	1
29	12	16	2
30	12	32	1
31	13	17	2
32	13	33	1
33	14	17	1
34	14	34	1
35	15	18	2
36	15	35	1
37	16	18	1
38	16	36	1
39	17	37	1
40	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1