@<TRIPOS>MOLECULE
118796474
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2098    -1.2814    -0.2502	O.3	1	noname	-0.2898
2	O2    -1.6503     0.8011    -0.9044	O.2	1	noname	-0.2686
3	N1     0.2293    -0.0746    -0.0481	N.3	1	noname	0.0756
4	N2     1.1515     2.4596     0.3762	N.2	1	noname	-0.2067
5	C1     2.2575    -1.0320     0.8758	C.3	1	noname	-0.0047
6	C2    -1.7624     3.8160     0.6342	C.3	1	noname	-0.0414
7	C3     1.4360     0.1158     0.5026	C.2	1	noname	0.0020
8	C4    -0.8767     3.4170    -0.5478	C.3	1	noname	-0.0030
9	C5     3.1432    -1.4310    -0.3062	C.3	1	noname	-0.0484
10	C6    -0.0552     2.2692    -0.1746	C.2	1	noname	0.1065
11	C7     3.1382    -0.6618     2.0709	C.3	1	noname	-0.0573
12	C8    -0.5247     0.9788    -0.3906	C.2	1	noname	0.1040
13	C9     1.9055     1.4062     0.7187	C.2	1	noname	0.0297
14	C10    -2.6233     5.0189     0.2432	C.3	1	noname	-0.0624
15	C11    -0.8817     4.1862     1.8293	C.3	1	noname	-0.0624
16	C12     2.2625    -1.8012    -1.5013	C.3	1	noname	-0.0648
17	H1     1.6124    -1.8683     1.1451	H	1	noname	0.0361
18	H2    -2.4075     2.9797     0.9035	H	1	noname	0.0301
19	H3    -1.5041     3.1532    -1.3992	H	1	noname	0.0336
20	H4    -0.2316     4.2533    -0.8171	H	1	noname	0.0336
21	H5     3.7883    -0.5947    -0.5755	H	1	noname	0.0270
22	H6     3.7565    -2.2879    -0.0276	H	1	noname	0.0270
23	H7     3.7515    -1.5187     2.3495	H	1	noname	0.0237
24	H8     2.5072    -0.3775     2.9130	H	1	noname	0.0237
25	H9     3.7833     0.1746     1.8016	H	1	noname	0.0237
26	H10     2.8240     1.5512     1.1379	H	1	noname	0.0854
27	H11    -3.2543     5.3032     1.0853	H	1	noname	0.0233
28	H12    -3.2507     4.7551    -0.6082	H	1	noname	0.0233
29	H13    -1.9782     5.8552    -0.0261	H	1	noname	0.0233
30	H14    -1.5127     4.4705     2.6714	H	1	noname	0.0233
31	H15    -0.2366     5.0226     1.5600	H	1	noname	0.0233
32	H16    -0.2684     3.3293     2.1079	H	1	noname	0.0233
33	H17     2.8935    -2.0855    -2.3434	H	1	noname	0.0231
34	H18     1.6492    -0.9443    -1.7799	H	1	noname	0.0231
35	H19     1.6174    -2.6376    -1.2320	H	1	noname	0.0231
36	H20    -0.7036    -1.5859     0.5397	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	36	1
3	2	12	2
4	3	7	1
5	3	12	1
6	4	10	2
7	4	13	1
8	5	7	1
9	5	9	1
10	5	11	1
11	5	17	1
12	6	8	1
13	6	14	1
14	6	15	1
15	6	18	1
16	7	13	2
17	8	10	1
18	8	19	1
19	8	20	1
20	9	16	1
21	9	21	1
22	9	22	1
23	10	12	1
24	11	23	1
25	11	24	1
26	11	25	1
27	13	26	1
28	14	27	1
29	14	28	1
30	14	29	1
31	15	30	1
32	15	31	1
33	15	32	1
34	16	33	1
35	16	34	1
36	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1