@<TRIPOS>MOLECULE
71586846
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5145     4.1865    -2.1620	O.3	1	noname	-0.2793
2	N1    -1.8727     0.0336     1.7816	N.3	1	noname	-0.1538
3	N2     1.3040     0.7248     0.3472	N.2	1	noname	-0.2259
4	C1    -0.7250     1.3320    -0.3127	C.2	1	noname	0.0151
5	C2    -2.1907     1.4476    -0.2906	C.3	1	noname	-0.0121
6	C3     0.0350     0.6593     0.6073	C.2	1	noname	0.0079
7	C4     0.1587     2.0279    -1.0636	C.2	1	noname	0.0051
8	C5    -2.8262     0.6757     0.9024	C.3	1	noname	0.0039
9	C6    -0.5345     0.0376     1.6528	C.2	1	noname	-0.0834
10	C7     1.4410     1.6182    -0.6024	C.2	1	noname	0.0231
11	C8    -0.0320     3.1321    -1.9527	C.2	1	noname	-0.0190
12	C9     2.6258     2.2853    -1.0107	C.2	1	noname	0.0216
13	C10     0.2810    -0.6189     2.6270	C.3	1	noname	-0.0275
14	C11     2.4369     3.4493    -1.8187	C.2	1	noname	-0.0235
15	C12     1.1474     3.8589    -2.2752	C.2	1	noname	-0.0142
16	C13     3.7369     5.1862    -1.1784	C.3	1	noname	0.0531
17	C14     4.9582     6.0217    -1.5675	C.3	1	noname	-0.0319
18	C15     5.1978     7.0988    -0.5077	C.3	1	noname	-0.0632
19	H1    -2.5992     1.0686    -1.2274	H	1	noname	0.0330
20	H2    -2.4242     2.5116    -0.2533	H	1	noname	0.0330
21	H3    -3.5275    -0.0671     0.5223	H	1	noname	0.0435
22	H4    -3.4512     1.3557     1.4814	H	1	noname	0.0435
23	H5    -2.1092     0.2169     2.7043	H	1	noname	0.1278
24	H6    -0.9473     3.3804    -2.3281	H	1	noname	0.0630
25	H7     3.5533     1.9550    -0.7442	H	1	noname	0.0673
26	H8     0.0237    -1.6775     2.6624	H	1	noname	0.0290
27	H9     0.1100    -0.1704     3.6056	H	1	noname	0.0290
28	H10     1.3309    -0.5091     2.3554	H	1	noname	0.0290
29	H11     1.0696     4.6979    -2.8500	H	1	noname	0.0650
30	H12     2.8612     5.8318    -1.1120	H	1	noname	0.0571
31	H13     3.9133     4.7127    -0.2126	H	1	noname	0.0571
32	H14     4.7817     6.4951    -2.5333	H	1	noname	0.0287
33	H15     5.8339     5.3760    -1.6339	H	1	noname	0.0287
34	H16     6.0679     7.6940    -0.7849	H	1	noname	0.0231
35	H17     4.3221     7.7444    -0.4413	H	1	noname	0.0231
36	H18     5.3742     6.6254     0.4581	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	14	1
2	1	16	1
3	2	8	1
4	2	9	1
5	2	23	1
6	3	6	1
7	3	10	2
8	4	5	1
9	4	6	1
10	4	7	2
11	5	8	1
12	5	19	1
13	5	20	1
14	6	9	2
15	7	10	1
16	7	11	1
17	8	21	1
18	8	22	1
19	9	13	1
20	10	12	1
21	11	15	2
22	11	24	1
23	12	14	2
24	12	25	1
25	13	26	1
26	13	27	1
27	13	28	1
28	14	15	1
29	15	29	1
30	16	17	1
31	16	30	1
32	16	31	1
33	17	18	1
34	17	32	1
35	17	33	1
36	18	34	1
37	18	35	1
38	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1