@<TRIPOS>MOLECULE
76967193
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6014    -1.5717     0.6425	O.2	1	noname	-0.2756
2	N1    -0.5121     1.2333     3.7207	N.3	1	noname	-0.3006
3	N2    -0.7561    -0.9397    -0.4189	N.3	1	noname	-0.1396
4	C1    -0.6851     0.9596     2.2950	C.3	1	noname	0.0150
5	C2    -1.2416    -0.4640     2.1095	C.3	1	noname	0.0369
6	C3     0.4231     0.2661     4.2927	C.3	1	noname	-0.0044
7	C4     0.0163     2.5851     3.8969	C.3	1	noname	-0.0044
8	C5    -1.6639     1.9718     1.6965	C.3	1	noname	-0.0491
9	C6    -1.5048    -0.9792     0.7395	C.2	1	noname	0.1294
10	C7     0.1972     2.8715     5.3889	C.3	1	noname	-0.0524
11	C8     1.7739     0.3821     3.5836	C.3	1	noname	-0.0524
12	C9     0.5020    -0.4427    -0.5722	C.2	1	noname	-0.0225
13	C10     1.4579    -0.6180     0.4518	C.2	1	noname	-0.0367
14	C11     0.8325     0.3573    -1.6897	C.2	1	noname	-0.0367
15	C12     2.5564     0.2534     0.5333	C.2	1	noname	-0.0546
16	C13     2.0524     1.0666    -1.7135	C.2	1	noname	-0.0546
17	C14     2.8754     1.0727    -0.5699	C.2	1	noname	-0.0625
18	H1     0.2773     1.0422     1.7899	H	1	noname	0.0469
19	H2    -2.1347    -0.5877     2.7220	H	1	noname	0.0377
20	H3    -0.4495    -1.0837     2.5299	H	1	noname	0.0377
21	H4     0.0292    -0.7417     4.1614	H	1	noname	0.0427
22	H5     0.5521     0.4702     5.3557	H	1	noname	0.0427
23	H6    -0.6810     3.3062     3.4704	H	1	noname	0.0427
24	H7     0.9786     2.6677     3.3917	H	1	noname	0.0427
25	H8    -1.7928     1.7678     0.6335	H	1	noname	0.0246
26	H9    -2.6262     1.8892     2.2016	H	1	noname	0.0246
27	H10    -1.2699     2.9796     1.8278	H	1	noname	0.0246
28	H11     0.5912     3.8793     5.5202	H	1	noname	0.0243
29	H12    -0.7651     2.7889     5.8941	H	1	noname	0.0243
30	H13     0.8945     2.1504     5.8153	H	1	noname	0.0243
31	H14     2.4712    -0.3390     4.0101	H	1	noname	0.0243
32	H15     1.6450     0.1780     2.5207	H	1	noname	0.0243
33	H16     2.1679     1.3899     3.7150	H	1	noname	0.0243
34	H17    -1.2028    -1.2664    -1.2237	H	1	noname	0.1370
35	H18     1.3116    -1.3102     1.1896	H	1	noname	0.0639
36	H19     0.1684     0.4718    -2.4718	H	1	noname	0.0639
37	H20     3.1094     0.2907     1.3999	H	1	noname	0.0623
38	H21     2.2916     1.6549    -2.5081	H	1	noname	0.0623
39	H22     3.7264     1.6565    -0.5305	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	9	2
2	4	2	1
3	2	6	1
4	2	7	1
5	3	9	1
6	3	12	1
7	3	34	1
8	4	5	1
9	4	8	1
10	4	18	1
11	5	9	1
12	5	19	1
13	5	20	1
14	6	11	1
15	6	21	1
16	6	22	1
17	7	10	1
18	7	23	1
19	7	24	1
20	8	25	1
21	8	26	1
22	8	27	1
23	10	28	1
24	10	29	1
25	10	30	1
26	11	31	1
27	11	32	1
28	11	33	1
29	12	13	2
30	12	14	1
31	13	15	1
32	13	35	1
33	14	16	2
34	14	36	1
35	15	17	2
36	15	37	1
37	16	17	1
38	16	38	1
39	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1