@<TRIPOS>MOLECULE
85862745
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.6358     3.0808    -0.4281	N.3	1	noname	-0.2913
2	C1    -1.3913     1.7908    -0.1623	C.3	1	noname	0.0395
3	C2    -2.7672     2.0287     0.5422	C.3	1	noname	0.0197
4	C3     0.7412     2.8615    -0.9594	C.3	1	noname	0.0032
5	C4    -1.5015     0.9978    -1.4320	C.2	1	noname	-0.0494
6	C5    -0.5285     4.0471     0.6983	C.3	1	noname	0.0243
7	C6     0.7845     1.9163    -2.1925	C.3	1	noname	0.0157
8	C7    -0.4098     1.0409    -2.3752	C.2	1	noname	-0.0471
9	C8    -2.7894     3.1367     1.4876	C.2	1	noname	-0.0476
10	C9    -1.7173     4.0915     1.5697	C.2	1	noname	-0.0500
11	C10    -2.6130     0.1062    -1.6739	C.2	1	noname	-0.0532
12	C11    -0.4167     0.2106    -3.5370	C.2	1	noname	-0.0611
13	C12    -3.9411     3.2504     2.3047	C.2	1	noname	-0.0605
14	C13    -1.7735     5.1507     2.5176	C.2	1	noname	-0.0538
15	C14    -2.6125    -0.7122    -2.8177	C.2	1	noname	-0.0658
16	C15    -1.5252    -0.6624    -3.7344	C.2	1	noname	-0.0622
17	C16    -4.0057     4.3396     3.2290	C.2	1	noname	-0.0620
18	C17    -2.9277     5.2773     3.3459	C.2	1	noname	-0.0654
19	H1    -0.8037     1.1527     0.5134	H	1	noname	0.0521
20	H2    -3.5402     2.1785    -0.2115	H	1	noname	0.0335
21	H3    -3.1111     1.1213     1.0388	H	1	noname	0.0335
22	H4     1.1867     3.8212    -1.2213	H	1	noname	0.0434
23	H5     1.3103     2.3946    -0.1555	H	1	noname	0.0434
24	H6    -0.3294     5.0437     0.3044	H	1	noname	0.0481
25	H7     0.3387     3.8280     1.3211	H	1	noname	0.0481
26	H8     0.9453     2.5048    -3.0958	H	1	noname	0.0329
27	H9     1.6819     1.2980    -2.1704	H	1	noname	0.0329
28	H10    -3.3937     0.0706    -1.0185	H	1	noname	0.0626
29	H11     0.3514     0.2416    -4.2075	H	1	noname	0.0625
30	H12    -4.7022     2.5749     2.2357	H	1	noname	0.0625
31	H13    -0.9999     5.8099     2.6038	H	1	noname	0.0626
32	H14    -3.3945    -1.3439    -2.9908	H	1	noname	0.0622
33	H15    -1.5399    -1.2680    -4.5550	H	1	noname	0.0622
34	H16    -4.8330     4.4512     3.8152	H	1	noname	0.0622
35	H17    -2.9863     6.0374     4.0235	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	4	1
3	1	6	1
4	2	3	1
5	2	5	1
6	2	19	1
7	3	9	1
8	3	20	1
9	3	21	1
10	4	7	1
11	4	22	1
12	4	23	1
13	5	8	1
14	5	11	2
15	6	10	1
16	6	24	1
17	6	25	1
18	7	8	1
19	7	26	1
20	7	27	1
21	8	12	2
22	9	10	1
23	9	13	2
24	10	14	2
25	11	15	1
26	11	28	1
27	12	16	1
28	12	29	1
29	13	17	1
30	13	30	1
31	14	18	1
32	14	31	1
33	15	16	2
34	15	32	1
35	16	33	1
36	17	18	2
37	17	34	1
38	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1