@<TRIPOS>MOLECULE
76967194
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5294    -1.8879     0.6853	O.2	1	noname	-0.2756
2	N1    -0.4754     0.7372     3.9409	N.3	1	noname	-0.3006
3	N2    -0.8906    -0.8873    -0.4303	N.3	1	noname	-0.1396
4	C1    -0.7618     0.6326     2.5111	C.3	1	noname	0.0150
5	C2    -1.1640    -0.8147     2.1726	C.3	1	noname	0.0369
6	C3    -1.6672     0.3713     4.7047	C.3	1	noname	-0.0044
7	C4    -0.0935     2.1113     4.2623	C.3	1	noname	-0.0044
8	C5     0.4853     1.0156     1.7118	C.3	1	noname	-0.0491
9	C6    -1.5056    -1.1755     0.7709	C.2	1	noname	0.1294
10	C7     0.2062     2.2207     5.7586	C.3	1	noname	-0.0524
11	C8    -2.8144     1.3171     4.3439	C.3	1	noname	-0.0524
12	C9     0.2779    -0.2148    -0.6190	C.2	1	noname	-0.0225
13	C10     1.3486    -0.3969     0.2829	C.2	1	noname	-0.0367
14	C11     0.3950     0.7611    -1.6349	C.2	1	noname	-0.0367
15	C12     2.3400     0.5919     0.3929	C.2	1	noname	-0.0546
16	C13     1.5143     1.6202    -1.6624	C.2	1	noname	-0.0546
17	C14     2.4449     1.5833    -0.6051	C.2	1	noname	-0.0625
18	H1    -1.5792     1.3064     2.2540	H	1	noname	0.0469
19	H2    -1.9683    -1.1328     2.8360	H	1	noname	0.0377
20	H3    -0.2656    -1.3756     2.4300	H	1	noname	0.0377
21	H4    -1.9519    -0.6533     4.4651	H	1	noname	0.0427
22	H5    -1.4536     0.4492     5.7707	H	1	noname	0.0427
23	H6    -0.9109     2.7851     4.0052	H	1	noname	0.0427
24	H7     0.7950     2.3841     3.6929	H	1	noname	0.0427
25	H8     0.2718     0.9376     0.6458	H	1	noname	0.0246
26	H9     0.7701     2.0401     1.9514	H	1	noname	0.0246
27	H10     1.3027     0.3418     1.9688	H	1	noname	0.0246
28	H11     0.4909     3.2452     5.9982	H	1	noname	0.0243
29	H12    -0.6823     1.9479     6.3281	H	1	noname	0.0243
30	H13     1.0235     1.5469     6.0157	H	1	noname	0.0243
31	H14    -3.7029     1.0443     4.9133	H	1	noname	0.0243
32	H15    -3.0280     1.2391     3.2778	H	1	noname	0.0243
33	H16    -2.5297     2.3416     4.5835	H	1	noname	0.0243
34	H17    -1.3769    -1.1610    -1.2318	H	1	noname	0.1370
35	H18     1.3616    -1.1930     0.9239	H	1	noname	0.0639
36	H19    -0.3554     0.8897    -2.3323	H	1	noname	0.0639
37	H20     2.9716     0.5869     1.2049	H	1	noname	0.0623
38	H21     1.5995     2.3336    -2.3823	H	1	noname	0.0623
39	H22     3.2212     2.2627    -0.5563	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