@<TRIPOS>MOLECULE
86278121
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5163     1.8048    -3.5821	O.2	1	noname	-0.2924
2	N1    -0.0602    -0.0208    -2.5129	N.3	1	noname	-0.0698
3	N2     1.2291     2.0616    -2.0788	N.3	1	noname	-0.0672
4	C1    -0.1689    -0.6423    -0.0678	C.3	1	noname	-0.0195
5	C2     0.4534    -1.8742     0.6120	C.3	1	noname	-0.0339
6	C3    -0.0705     0.4188     1.1093	C.3	1	noname	-0.0365
7	C4     0.4153    -1.5120     2.1197	C.3	1	noname	-0.0379
8	C5     1.0472    -0.0903     2.0421	C.3	1	noname	-0.0470
9	C6     0.4426    -0.8665    -1.4838	C.3	1	noname	0.0187
10	C7    -1.2716     0.2117     2.1120	C.3	1	noname	-0.0498
11	C8    -0.9926    -1.2073     2.6888	C.3	1	noname	-0.0499
12	C9    -0.1520    -2.9941    -0.2562	C.3	1	noname	-0.0483
13	C10     0.2129    -2.4203    -1.6681	C.3	1	noname	-0.0367
14	C11     0.2588     1.2917    -2.7324	C.2	1	noname	-0.0369
15	C12     1.0151     3.4438    -1.8529	C.3	1	noname	-0.0048
16	C13     2.5398     1.6614    -1.6472	C.3	1	noname	-0.0048
17	H1    -1.2426    -0.7573    -0.2378	H	1	noname	0.0324
18	H2     1.5508    -1.9755     0.4453	H	1	noname	0.0309
19	H3     0.0439     1.4611     0.7952	H	1	noname	0.0306
20	H4     1.0019    -2.1978     2.7326	H	1	noname	0.0306
21	H5     1.1087     0.4215     3.0127	H	1	noname	0.0272
22	H6     2.0334    -0.0292     1.5698	H	1	noname	0.0272
23	H7     1.5159    -0.7407    -1.5118	H	1	noname	0.0472
24	H8    -2.2523     0.2741     1.6400	H	1	noname	0.0269
25	H9    -1.2549     0.9585     2.9173	H	1	noname	0.0269
26	H10    -1.7192    -1.9534     2.3595	H	1	noname	0.0269
27	H11    -0.9683    -1.2021     3.7827	H	1	noname	0.0269
28	H12    -1.2267    -3.1153    -0.1414	H	1	noname	0.0270
29	H13     0.3383    -3.9319    -0.0604	H	1	noname	0.0270
30	H14    -0.5187    -2.6944    -2.4246	H	1	noname	0.0283
31	H15     1.1758    -2.8618    -1.9841	H	1	noname	0.0283
32	H16    -0.7553    -0.3917    -3.0816	H	1	noname	0.1327
33	H17     2.5664     1.1242    -0.6865	H	1	noname	0.0399
34	H18     3.1872     2.5365    -1.5921	H	1	noname	0.0399
35	H19     2.9161     0.9365    -2.3690	H	1	noname	0.0399
36	H20     0.1226     3.5782    -1.2418	H	1	noname	0.0399
37	H21     0.8814     3.9516    -2.8080	H	1	noname	0.0399
38	H22     1.8768     3.8649    -1.3350	H	1	noname	0.0399
@<TRIPOS>BOND
1	1	14	2
2	2	9	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	9	1
11	4	17	1
12	5	7	1
13	5	12	1
14	5	18	1
15	6	8	1
16	6	10	1
17	6	19	1
18	7	8	1
19	7	11	1
20	7	20	1
21	8	21	1
22	8	22	1
23	9	13	1
24	9	23	1
25	10	11	1
26	10	24	1
27	10	25	1
28	11	26	1
29	11	27	1
30	12	13	1
31	12	28	1
32	12	29	1
33	13	30	1
34	13	31	1
35	15	36	1
36	15	37	1
37	15	38	1
38	16	33	1
39	16	34	1
40	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1