@<TRIPOS>MOLECULE
60638636
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4391    -1.8955     0.6543	O.2	1	noname	-0.2700
2	N1    -0.7885    -0.1199     2.7857	N.3	1	noname	-0.3065
3	N2    -0.8022    -0.9078    -0.5323	N.3	1	noname	-0.1376
4	C1    -1.7732     0.0221     1.6948	C.3	1	noname	0.0789
5	C2    -0.9064    -1.4512     3.3783	C.3	1	noname	-0.0044
6	C3     0.1140    -1.5984     4.5088	C.3	1	noname	-0.0435
7	C4    -1.6252    -0.9538     0.5814	C.2	1	noname	0.1375
8	C5    -1.7142     1.4454     1.1366	C.3	1	noname	-0.0412
9	C6     0.1604     0.0295    -0.8531	C.2	1	noname	-0.0312
10	C7    -0.0094    -2.9916     5.1290	C.3	1	noname	-0.0642
11	C8     0.9140     0.6335     0.1723	C.2	1	noname	-0.0380
12	C9     0.4537     0.3943    -2.1988	C.2	1	noname	-0.0380
13	C10     2.0378     2.1163    -1.3877	C.2	1	noname	-0.0591
14	C11     1.7493     1.7319    -0.0681	C.2	1	noname	-0.0590
15	C12     1.4000     1.4233    -2.4648	C.2	1	noname	-0.0590
16	C13     3.0387     3.1888    -1.6009	C.3	1	noname	-0.0029
17	H1    -2.7320    -0.1732     2.1751	H	1	noname	0.0559
18	H2    -1.9122    -1.5837     3.7771	H	1	noname	0.0428
19	H3    -0.7155    -2.2065     2.6159	H	1	noname	0.0428
20	H4    -0.9676     0.5882     3.5005	H	1	noname	0.1229
21	H5    -0.0769    -0.8431     5.2712	H	1	noname	0.0277
22	H6     1.1197    -1.4660     4.1100	H	1	noname	0.0277
23	H7    -2.4412     1.5502     0.3312	H	1	noname	0.0251
24	H8    -1.9455     2.1565     1.9297	H	1	noname	0.0251
25	H9    -0.7140     1.6434     0.7514	H	1	noname	0.0251
26	H10    -0.9470    -1.6190    -1.1766	H	1	noname	0.1371
27	H11     0.7176    -3.0965     5.9344	H	1	noname	0.0231
28	H12    -1.0151    -3.1240     5.5278	H	1	noname	0.0231
29	H13     0.1815    -3.7469     4.3666	H	1	noname	0.0231
30	H14     0.8896     0.2695     1.1224	H	1	noname	0.0639
31	H15    -0.0175    -0.0853    -2.9917	H	1	noname	0.0639
32	H16     2.1536     2.1962     0.7529	H	1	noname	0.0625
33	H17     1.6179     1.6572    -3.4513	H	1	noname	0.0625
34	H18     2.5716     4.0228    -2.1247	H	1	noname	0.0279
35	H19     3.4159     3.5305    -0.6370	H	1	noname	0.0279
36	H20     3.8645     2.8016    -2.1977	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	7	2
2	2	4	1
3	2	5	1
4	2	20	1
5	3	7	1
6	3	9	1
7	3	26	1
8	4	7	1
9	4	8	1
10	4	17	1
11	5	6	1
12	5	18	1
13	5	19	1
14	6	10	1
15	6	21	1
16	6	22	1
17	8	23	1
18	8	24	1
19	8	25	1
20	9	11	2
21	9	12	1
22	10	27	1
23	10	28	1
24	10	29	1
25	11	14	1
26	11	30	1
27	12	15	2
28	12	31	1
29	13	14	2
30	13	15	1
31	13	16	1
32	14	32	1
33	15	33	1
34	16	34	1
35	16	35	1
36	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1