@<TRIPOS>MOLECULE
92135911
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0717     1.8574     0.3926	O.3	1	noname	-0.3108
2	N1     5.4886     1.7803     0.6729	N.3	1	noname	-0.3033
3	N2     1.2665    -0.1729    -0.3314	N.2	1	noname	-0.1432
4	N3    -0.1003     1.3019     0.4841	N.2	1	noname	-0.1365
5	C1     4.0677     1.5552     0.9335	C.3	1	noname	0.0059
6	C2     6.1630     2.1332     1.9211	C.3	1	noname	-0.0046
7	C3     5.6409     2.8711    -0.2886	C.3	1	noname	-0.0046
8	C4     3.3619     1.1859    -0.3728	C.3	1	noname	0.1084
9	C5     7.1278     3.1067    -0.5613	C.3	1	noname	-0.0524
10	C6     6.0037     0.9916     2.9273	C.3	1	noname	-0.0524
11	C7     1.9430     0.9611    -0.1126	C.2	1	noname	0.1480
12	C8    -0.0005     0.0420     0.0397	C.2	1	noname	0.1339
13	C9    -1.0358    -0.8832    -0.0246	C.2	1	noname	-0.0164
14	C10    -2.3123    -0.5281     0.3956	C.2	1	noname	-0.0149
15	C11    -0.7947    -2.1635    -0.5092	C.2	1	noname	-0.0149
16	C12    -3.3477    -1.4534     0.3313	C.2	1	noname	-0.0472
17	C13    -1.8300    -3.0887    -0.5735	C.2	1	noname	-0.0472
18	C14    -3.1065    -2.7336    -0.1532	C.2	1	noname	-0.0377
19	H1     3.6248     2.4637     1.3415	H	1	noname	0.0435
20	H2     3.9542     0.7420     1.6503	H	1	noname	0.0435
21	H3     5.1380     2.6081    -1.2192	H	1	noname	0.0427
22	H4     5.1979     3.7796     0.1195	H	1	noname	0.0427
23	H5     5.7201     3.0417     2.3292	H	1	noname	0.0427
24	H6     7.2224     2.3010     1.7268	H	1	noname	0.0427
25	H7     3.4754     1.9992    -1.0896	H	1	noname	0.0368
26	H8     3.8048     0.2774    -0.7809	H	1	noname	0.0368
27	H9     6.5065     1.2547     3.8579	H	1	noname	0.0243
28	H10     4.9443     0.8238     3.1215	H	1	noname	0.0243
29	H11     6.4466     0.0832     2.5192	H	1	noname	0.0243
30	H12     7.2413     3.9200    -1.2781	H	1	noname	0.0243
31	H13     7.5708     2.1982    -0.9694	H	1	noname	0.0243
32	H14     7.6307     3.3698     0.3693	H	1	noname	0.0243
33	H15    -2.4892     0.4114     0.7512	H	1	noname	0.0630
34	H16     0.1420    -2.4241    -0.8175	H	1	noname	0.0630
35	H17    -4.2844    -1.1928     0.6397	H	1	noname	0.0622
36	H18    -1.6531    -4.0282    -0.9291	H	1	noname	0.0622
37	H19    -3.8663    -3.4126    -0.2004	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	4	1
2	1	11	1
3	2	5	1
4	2	6	1
5	2	7	1
6	3	11	2
7	3	12	1
8	4	12	2
9	5	8	1
10	5	19	1
11	5	20	1
12	6	10	1
13	6	23	1
14	6	24	1
15	7	9	1
16	7	21	1
17	7	22	1
18	8	11	1
19	8	25	1
20	8	26	1
21	9	30	1
22	9	31	1
23	9	32	1
24	10	27	1
25	10	28	1
26	10	29	1
27	12	13	1
28	13	14	2
29	13	15	1
30	14	16	1
31	14	33	1
32	15	17	2
33	15	34	1
34	16	18	2
35	16	35	1
36	17	18	1
37	17	36	1
38	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1