@<TRIPOS>MOLECULE
66601477
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4266    -2.8873     1.8813	O.3	1	noname	0.0000
2	N1     0.9301     2.3238     0.3528	N.2	1	noname	0.0000
3	C1     1.9788     3.3159     0.2683	C.3	1	noname	0.0000
4	C2     3.2153     2.9014    -0.6019	C.3	1	noname	0.0000
5	C3     1.8347     4.7623    -0.2858	C.3	1	noname	0.0000
6	C4     4.2173     4.0201    -0.3378	C.3	1	noname	0.0000
7	C5     3.6415     1.4803    -0.2714	C.3	1	noname	0.0000
8	C6     3.3038     5.2713    -0.3196	C.3	1	noname	0.0000
9	C7     2.4027     0.6470    -0.6738	C.3	1	noname	0.0000
10	C8     1.1370     1.0637    -0.0084	C.2	1	noname	0.0000
11	C9    -0.2936     2.7399     0.9916	C.3	1	noname	0.0000
12	C10     0.2054     0.0377     0.3799	C.2	1	noname	0.0000
13	C11    -0.8131     1.7013     2.0203	C.3	1	noname	0.0000
14	C12    -0.7304     0.3543     1.4288	C.2	1	noname	0.0000
15	C13     0.1625    -1.2687    -0.2174	C.2	1	noname	0.0000
16	C14    -1.6229    -0.6243     1.9469	C.2	1	noname	0.0000
17	C15    -0.7449    -2.2363     0.2865	C.2	1	noname	0.0000
18	C16    -1.6136    -1.9323     1.3818	C.2	1	noname	0.0000
19	H1     2.2365     3.4330     1.3423	H	1	noname	0.0000
20	H2     3.0668     2.9160    -1.6994	H	1	noname	0.0000
21	H3     1.4397     4.7249    -1.3010	H	1	noname	0.0000
22	H4     1.1746     5.3898     0.3131	H	1	noname	0.0000
23	H5     4.9126     4.0900    -1.1743	H	1	noname	0.0000
24	H6     4.6809     3.8826     0.6390	H	1	noname	0.0000
25	H7     3.8064     1.3908     0.8023	H	1	noname	0.0000
26	H8     4.5172     1.1512    -0.8308	H	1	noname	0.0000
27	H9     3.4660     5.8529    -1.2271	H	1	noname	0.0000
28	H10     3.5520     5.8652     0.5601	H	1	noname	0.0000
29	H11     2.2744     0.6859    -1.7556	H	1	noname	0.0000
30	H12     2.5639    -0.4125    -0.4746	H	1	noname	0.0000
31	H13    -1.0577     2.9146     0.2342	H	1	noname	0.0000
32	H14    -0.1701     3.7260     1.4393	H	1	noname	0.0000
33	H15    -1.8501     1.9252     2.2705	H	1	noname	0.0000
34	H16    -0.2388     1.6953     2.9467	H	1	noname	0.0000
35	H17     0.7790    -1.4985    -0.9969	H	1	noname	0.0000
36	H18    -2.2590    -0.3937     2.7102	H	1	noname	0.0000
37	H19    -0.7784    -3.1628    -0.1388	H	1	noname	0.0000
38	H20    -2.9504    -2.5159     2.6216	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	18	1
2	1	38	1
3	2	3	1
4	2	10	2
5	2	11	1
6	3	4	1
7	3	5	1
8	3	19	1
9	4	6	1
10	4	7	1
11	4	20	1
12	5	8	1
13	5	21	1
14	5	22	1
15	6	8	1
16	6	23	1
17	6	24	1
18	7	9	1
19	7	25	1
20	7	26	1
21	8	27	1
22	8	28	1
23	9	10	1
24	9	29	1
25	9	30	1
26	10	12	1
27	11	13	1
28	11	31	1
29	11	32	1
30	12	14	2
31	12	15	1
32	13	14	1
33	13	33	1
34	13	34	1
35	14	16	1
36	15	17	2
37	15	35	1
38	16	18	2
39	16	36	1
40	17	18	1
41	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1