@<TRIPOS>MOLECULE
76968082
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9043     2.2182    -0.6251	O.3	1	noname	-0.3870
2	N1     5.3473    -0.1510    -0.0292	N.3	1	noname	-0.3115
3	C1     3.2209     0.9943    -0.3983	C.3	1	noname	0.0916
4	C2     4.0375     0.1241     0.5592	C.3	1	noname	0.0258
5	C3     1.9129     1.2690     0.1893	C.2	1	noname	-0.0367
6	C4     6.1276    -0.9826     0.8857	C.3	1	noname	0.0013
7	C5     0.9901     2.0459    -0.5013	C.2	1	noname	-0.0342
8	C6    -0.2553     2.3074     0.0580	C.2	1	noname	-0.0375
9	C7     1.5903     0.7536     1.4392	C.2	1	noname	-0.0434
10	C8    -0.5778     1.7920     1.3080	C.2	1	noname	-0.0399
11	C9     7.4983    -1.2704     0.2700	C.3	1	noname	-0.0500
12	C10     6.3098    -0.2463     2.2145	C.3	1	noname	-0.0500
13	C11     0.3450     1.0151     1.9986	C.2	1	noname	-0.0437
14	C12    -1.1781     3.0843    -0.6326	C.2	1	noname	-0.0471
15	C13    -1.8231     2.0535     1.8674	C.2	1	noname	-0.0476
16	C14    -2.4234     3.3458    -0.0732	C.2	1	noname	-0.0569
17	C15    -2.7459     2.8304     1.1768	C.2	1	noname	-0.0570
18	H1     3.0911     0.4698    -1.3449	H	1	noname	0.0665
19	H2     3.5129    -0.8154     0.7333	H	1	noname	0.0458
20	H3     4.1673     0.6486     1.5058	H	1	noname	0.0458
21	H4     5.6030    -1.9220     1.0599	H	1	noname	0.0459
22	H5     5.2256    -0.6428    -0.9167	H	1	noname	0.1225
23	H6     1.2267     2.4241    -1.4186	H	1	noname	0.0632
24	H7     2.2675     0.1834     1.9460	H	1	noname	0.0626
25	H8     8.0801    -1.8904     0.9522	H	1	noname	0.0246
26	H9     7.3685    -1.7949    -0.6766	H	1	noname	0.0246
27	H10     8.0230    -0.3309     0.0959	H	1	noname	0.0246
28	H11     6.8915    -0.8663     2.8966	H	1	noname	0.0246
29	H12     5.3332    -0.0412     2.6532	H	1	noname	0.0246
30	H13     6.8344     0.6932     2.0404	H	1	noname	0.0246
31	H14     0.1083     0.6368     2.9158	H	1	noname	0.0629
32	H15    -0.9414     3.4626    -1.5498	H	1	noname	0.0629
33	H16     4.0210     2.6898     0.2260	H	1	noname	0.2109
34	H17    -2.0598     1.6752     2.7846	H	1	noname	0.0629
35	H18    -3.1006     3.9159    -0.5800	H	1	noname	0.0622
36	H19    -3.6597     3.0223     1.5872	H	1	noname	0.0622
@<TRIPOS>BOND
1	3	1	1
2	1	33	1
3	2	4	1
4	2	6	1
5	2	22	1
6	3	4	1
7	3	5	1
8	3	18	1
9	4	19	1
10	4	20	1
11	5	7	2
12	5	9	1
13	6	11	1
14	6	12	1
15	6	21	1
16	7	8	1
17	7	23	1
18	8	10	1
19	8	14	2
20	9	13	2
21	9	24	1
22	10	13	1
23	10	15	2
24	11	25	1
25	11	26	1
26	11	27	1
27	12	28	1
28	12	29	1
29	12	30	1
30	13	31	1
31	14	16	1
32	14	32	1
33	15	17	1
34	15	34	1
35	16	17	2
36	16	35	1
37	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1