@<TRIPOS>MOLECULE
68146615
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1108     4.5017    -0.4213	O.2	1	noname	-0.2962
2	N1     3.2770     2.7930     0.4467	N.3	1	noname	-0.0762
3	N2    -2.4568    -0.8923    -0.6744	N.3	1	noname	-0.2554
4	N3    -3.6323    -1.6409    -0.6412	N.3	1	noname	-0.2586
5	C1     4.5034     3.2042    -0.1145	C.3	1	noname	0.0087
6	C2    -1.3879     1.0902     0.1123	C.2	1	noname	-0.0314
7	C3     0.9563     2.5832     0.0461	C.2	1	noname	-0.0107
8	C4     2.1283     3.3297     0.0130	C.2	1	noname	0.0116
9	C5    -2.6190     0.3061     0.1471	C.3	1	noname	0.0351
10	C6     5.2049     1.9997    -0.7454	C.3	1	noname	-0.0496
11	C7     5.3926     3.7960     0.9809	C.3	1	noname	-0.0496
12	C8    -0.1963     0.5335     0.5622	C.2	1	noname	-0.0373
13	C9    -1.4074     2.3935    -0.3706	C.2	1	noname	-0.0373
14	C10     0.9757     1.2800     0.5291	C.2	1	noname	-0.0155
15	C11    -0.2353     3.1400    -0.4037	C.2	1	noname	-0.0155
16	C12    -3.4701    -2.8394    -1.4627	C.3	1	noname	-0.0014
17	H1     4.3183     3.9584    -0.8793	H	1	noname	0.0463
18	H2     3.2648     2.1216     1.1466	H	1	noname	0.1316
19	H3    -3.4423     0.9050    -0.2424	H	1	noname	0.0493
20	H4    -2.8357     0.0154     1.1750	H	1	noname	0.0493
21	H5     6.1530     2.3175    -1.1793	H	1	noname	0.0246
22	H6     6.3407     4.1139     0.5471	H	1	noname	0.0246
23	H7     4.8928     4.6541     1.4303	H	1	noname	0.0246
24	H8     5.5777     3.0418     1.7457	H	1	noname	0.0246
25	H9     4.5714     1.5780    -1.5258	H	1	noname	0.0246
26	H10     5.3900     1.2454     0.0193	H	1	noname	0.0246
27	H11    -0.1821    -0.4229     0.9165	H	1	noname	0.0626
28	H12    -2.2817     2.8021    -0.7007	H	1	noname	0.0626
29	H13     1.8501     0.8714     0.8591	H	1	noname	0.0630
30	H14    -0.2496     4.0963    -0.7581	H	1	noname	0.0630
31	H15    -2.2536    -0.6197    -1.6382	H	1	noname	0.1415
32	H16    -3.8355    -1.9135     0.3226	H	1	noname	0.1408
33	H17    -4.3892    -3.4248    -1.4367	H	1	noname	0.0406
34	H18    -3.2534    -2.5487    -2.4906	H	1	noname	0.0406
35	H19    -2.6468    -3.4382    -1.0732	H	1	noname	0.0406
@<TRIPOS>BOND
1	1	8	2
2	2	5	1
3	2	8	1
4	2	18	1
5	3	4	1
6	3	9	1
7	3	31	1
8	4	16	1
9	4	32	1
10	5	10	1
11	5	11	1
12	5	17	1
13	6	9	1
14	6	12	2
15	6	13	1
16	7	8	1
17	7	14	2
18	7	15	1
19	9	19	1
20	9	20	1
21	10	21	1
22	10	25	1
23	10	26	1
24	11	22	1
25	11	23	1
26	11	24	1
27	12	14	1
28	12	27	1
29	13	15	2
30	13	28	1
31	14	29	1
32	15	30	1
33	16	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1