@<TRIPOS>MOLECULE
119025863
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1    -0.5547    -0.8307    -0.1726	C.3	1	noname	0.0170
2	C2    -1.9125    -0.6575     0.6954	C.3	1	noname	0.0170
3	C3     0.3851    -2.0214     0.2210	C.3	1	noname	-0.0458
4	C4    -2.3608    -1.9757     1.4182	C.3	1	noname	-0.0458
5	C5     0.2444    -2.4315     1.7018	C.3	1	noname	-0.0527
6	C6    -1.2146    -2.7602     2.1264	C.3	1	noname	-0.0527
7	C7     0.3823     0.3145    -0.4754	C.2	1	noname	-0.0557
8	C8    -2.0552     0.5693     1.5691	C.2	1	noname	-0.0557
9	C9     1.0114     1.0852     0.5666	C.2	1	noname	-0.0625
10	C10    -2.8165     1.7010     1.0986	C.2	1	noname	-0.0625
11	C11     0.7207     0.6119    -1.8452	C.2	1	noname	-0.0625
12	C12    -1.4166     0.6561     2.8481	C.2	1	noname	-0.0625
13	C13     1.8832     2.1812     0.3058	C.2	1	noname	-0.0627
14	C14    -2.7577     2.9729     1.7354	C.2	1	noname	-0.0627
15	C15     1.5811     1.7023    -2.1180	C.2	1	noname	-0.0627
16	C16    -1.4078     1.9009     3.5238	C.2	1	noname	-0.0627
17	C17     2.1379     2.4787    -1.0637	C.2	1	noname	-0.0679
18	C18    -2.0323     3.0497     2.9566	C.2	1	noname	-0.0679
19	H1    -0.9553    -1.1461    -1.1332	H	1	noname	0.0358
20	H2    -2.7448    -0.5825    -0.0193	H	1	noname	0.0358
21	H3     0.1703    -2.8796    -0.4157	H	1	noname	0.0273
22	H4     1.4211    -1.7631     0.0018	H	1	noname	0.0273
23	H5    -3.1439    -1.7457     2.1407	H	1	noname	0.0273
24	H6    -2.7309    -2.6345     0.6326	H	1	noname	0.0273
25	H7    -1.3902    -3.8311     2.0243	H	1	noname	0.0267
26	H8    -1.2575    -2.5329     3.1916	H	1	noname	0.0267
27	H9     0.6378    -1.6383     2.3375	H	1	noname	0.0267
28	H10     0.8851    -3.2890     1.9076	H	1	noname	0.0267
29	H11    -3.4283     1.5961     0.2811	H	1	noname	0.0625
30	H12     0.8191     0.8688     1.5284	H	1	noname	0.0625
31	H13    -0.9759    -0.1639     3.2650	H	1	noname	0.0625
32	H14     0.3457     0.0452    -2.6059	H	1	noname	0.0625
33	H15     2.3031     2.7243     1.0602	H	1	noname	0.0622
34	H16    -3.2148     3.7917     1.3342	H	1	noname	0.0622
35	H17    -0.9473     1.9763     4.4308	H	1	noname	0.0622
36	H18     1.8054     1.9351    -3.0855	H	1	noname	0.0622
37	H19     2.7368     3.2713    -1.2952	H	1	noname	0.0622
38	H20    -1.9573     3.9464     3.4368	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	7	1
4	1	19	1
5	2	4	1
6	2	8	1
7	2	20	1
8	3	5	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	27	1
16	5	28	1
17	6	25	1
18	6	26	1
19	7	9	2
20	7	11	1
21	8	10	2
22	8	12	1
23	9	13	1
24	9	30	1
25	10	14	1
26	10	29	1
27	11	15	2
28	11	32	1
29	12	16	2
30	12	31	1
31	13	17	2
32	13	33	1
33	14	18	2
34	14	34	1
35	15	17	1
36	15	36	1
37	16	18	1
38	16	35	1
39	17	37	1
40	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1