@<TRIPOS>MOLECULE
86278154
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.3433     2.1433    -4.0587	O.2	1	noname	-0.2924
2	N1    -1.9745     1.9233    -2.4262	N.3	1	noname	-0.0699
3	N2    -3.9346     0.4144    -2.6515	N.3	1	noname	-0.0672
4	C1     0.8347     1.6998    -0.5959	C.3	1	noname	-0.0339
5	C2     0.5485     0.1807    -0.6533	C.3	1	noname	-0.0339
6	C3     2.1199     1.7406     0.2785	C.3	1	noname	-0.0379
7	C4     1.8950    -0.4291    -0.2362	C.3	1	noname	-0.0379
8	C5     2.1240     0.4181     1.0682	C.3	1	noname	-0.0470
9	C6     3.3382     1.4467    -0.6848	C.3	1	noname	-0.0499
10	C7     3.0740    -0.0128    -1.1528	C.3	1	noname	-0.0499
11	C8    -0.5752     2.2264    -0.3535	C.3	1	noname	-0.0339
12	C9    -0.3289     0.1029    -1.8860	C.3	1	noname	-0.0339
13	C10    -1.2883     1.2585    -1.3811	C.3	1	noname	0.0159
14	C11    -3.0991     1.4634    -3.0295	C.2	1	noname	-0.0370
15	C12    -4.5913    -0.3365    -3.6600	C.3	1	noname	-0.0048
16	C13    -4.3454     0.0550    -1.3120	C.3	1	noname	-0.0048
17	H1     1.1092     2.1636    -1.5610	H	1	noname	0.0309
18	H2    -0.0926    -0.2553     0.1234	H	1	noname	0.0309
19	H3     2.2455     2.6513     0.8899	H	1	noname	0.0306
20	H4     1.8205    -1.5222    -0.0571	H	1	noname	0.0306
21	H5     1.3213     0.3847     1.8169	H	1	noname	0.0272
22	H6     3.0714     0.1828     1.5648	H	1	noname	0.0272
23	H7     3.4021     2.1365    -1.5330	H	1	noname	0.0269
24	H8     4.2843     1.5200    -0.1449	H	1	noname	0.0269
25	H9     2.7944    -0.0937    -2.2033	H	1	noname	0.0269
26	H10     3.9369    -0.6635    -0.9804	H	1	noname	0.0269
27	H11    -0.8757     2.0403     0.6872	H	1	noname	0.0285
28	H12    -0.7337     3.2817    -0.5648	H	1	noname	0.0285
29	H13    -0.8061    -0.8714    -1.9608	H	1	noname	0.0285
30	H14     0.2151     0.2899    -2.8259	H	1	noname	0.0285
31	H15    -1.9629     0.7666    -0.7114	H	1	noname	0.0470
32	H16    -1.5250     2.7157    -2.8212	H	1	noname	0.1326
33	H17    -5.6323    -0.0096    -3.7472	H	1	noname	0.0399
34	H18    -4.5755    -1.4261    -3.5130	H	1	noname	0.0399
35	H19    -4.1809     0.8177    -0.5486	H	1	noname	0.0399
36	H20    -5.3971    -0.2312    -1.3190	H	1	noname	0.0399
37	H21    -3.8290    -0.8675    -1.0465	H	1	noname	0.0399
38	H22    -4.1490    -0.0672    -4.6191	H	1	noname	0.0399
@<TRIPOS>BOND
1	1	14	2
2	2	13	1
3	2	14	1
4	2	32	1
5	3	14	1
6	3	15	1
7	3	16	1
8	4	5	1
9	4	6	1
10	4	11	1
11	4	17	1
12	5	7	1
13	5	12	1
14	5	18	1
15	6	8	1
16	6	9	1
17	6	19	1
18	7	8	1
19	7	10	1
20	7	20	1
21	8	21	1
22	8	22	1
23	9	10	1
24	9	23	1
25	9	24	1
26	10	25	1
27	10	26	1
28	11	13	1
29	11	27	1
30	11	28	1
31	12	13	1
32	12	29	1
33	12	30	1
34	13	31	1
35	15	33	1
36	15	34	1
37	15	38	1
38	16	35	1
39	16	36	1
40	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1