@<TRIPOS>MOLECULE
118796442
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.2397    -4.3082     0.5666	S.3	1	noname	-0.2385
2	N1    -2.3731     4.1518    -1.0391	N.3	1	noname	-0.3194
3	C1     1.3650    -1.4592    -0.2386	C.3	1	noname	0.0170
4	C2     0.3935    -2.4618    -0.8701	C.3	1	noname	0.0318
5	C3     0.8925    -0.2572     0.4887	C.2	1	noname	-0.0426
6	C4    -1.6549    -0.4152     0.1869	C.2	1	noname	-0.0333
7	C5    -0.4668     0.1364     0.7603	C.2	1	noname	-0.0441
8	C6    -1.8067    -1.8215     0.2913	C.2	1	noname	-0.0151
9	C7    -0.7909    -2.7307    -0.0523	C.2	1	noname	0.0224
10	C8    -2.5804     0.3203    -0.4990	C.2	1	noname	-0.0527
11	C9     1.9703     0.5484     0.9475	C.2	1	noname	-0.0604
12	C10    -2.9730    -2.4721     0.7711	C.2	1	noname	-0.0172
13	C11    -0.6294     1.1831     1.7229	C.2	1	noname	-0.0482
14	C12    -2.6501     1.7182    -0.9503	C.3	1	noname	-0.0215
15	C13    -2.8813    -3.8537     0.9729	C.2	1	noname	0.0007
16	C14    -2.0790     2.9609    -0.2438	C.3	1	noname	-0.0016
17	C15     1.7471     1.7084     1.7038	C.2	1	noname	-0.0611
18	C16     0.4335     2.0392     2.0610	C.2	1	noname	-0.0649
19	C17    -1.8307     5.3321    -0.3681	C.3	1	noname	-0.0164
20	H1     2.0904    -1.9934     0.3751	H	1	noname	0.0320
21	H2     2.0294    -1.1017    -1.0253	H	1	noname	0.0320
22	H3     0.0836    -2.0994    -1.8503	H	1	noname	0.0328
23	H4     0.9507    -3.3865    -1.0207	H	1	noname	0.0328
24	H5    -3.3719    -0.1757    -0.8655	H	1	noname	0.0583
25	H6     2.9620     0.3024     0.7681	H	1	noname	0.0625
26	H7    -3.8367    -1.9716     0.9880	H	1	noname	0.0637
27	H8    -3.6564     1.9345    -1.3089	H	1	noname	0.0323
28	H9    -2.0865     1.7081    -1.8833	H	1	noname	0.0323
29	H10    -1.5363     1.3502     2.1678	H	1	noname	0.0629
30	H11    -3.6172    -4.4891     1.2906	H	1	noname	0.0739
31	H12    -2.5347     3.0602     0.7414	H	1	noname	0.0431
32	H13    -0.9997     2.8535    -0.1358	H	1	noname	0.0431
33	H14     2.5208     2.3066     1.9717	H	1	noname	0.0622
34	H15     0.2513     2.9020     2.5611	H	1	noname	0.0622
35	H16    -1.9459     4.0587    -1.9629	H	1	noname	0.1219
36	H17    -2.0500     6.2200    -0.9611	H	1	noname	0.0391
37	H18    -2.2864     5.4315     0.6171	H	1	noname	0.0391
38	H19    -0.7514     5.2248    -0.2601	H	1	noname	0.0391
@<TRIPOS>BOND
1	1	9	1
2	1	15	1
3	2	16	1
4	2	19	1
5	2	35	1
6	3	4	1
7	3	5	1
8	3	20	1
9	3	21	1
10	4	9	1
11	4	22	1
12	4	23	1
13	5	7	1
14	5	11	2
15	6	7	1
16	6	8	1
17	6	10	2
18	7	13	2
19	8	9	2
20	8	12	1
21	10	14	1
22	10	24	1
23	11	17	1
24	11	25	1
25	12	15	2
26	12	26	1
27	13	18	1
28	13	29	1
29	14	16	1
30	14	27	1
31	14	28	1
32	15	30	1
33	16	31	1
34	16	32	1
35	17	18	2
36	17	33	1
37	18	34	1
38	19	36	1
39	19	37	1
40	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1