@<TRIPOS>MOLECULE
119057570
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5957     3.2690     5.5239	O.2	1	noname	-0.2919
2	O2    -6.4819     3.2007     6.7243	O.3	1	noname	-0.2441
3	O3    -5.8483     2.3352     8.8470	O.3	1	noname	-0.2431
4	N1    -3.1305     4.6730     3.1987	N.3	1	noname	-0.2994
5	C1    -1.8060     4.3119     3.8479	C.3	1	noname	0.0729
6	C2    -0.7534     5.4864     3.7801	C.3	1	noname	-0.0303
7	C3    -1.1153     6.7763     4.5862	C.3	1	noname	-0.0542
8	C4    -1.7640     3.5983     5.1832	C.2	1	noname	0.1000
9	C5    -2.7978     3.2178     6.1111	C.2	1	noname	-0.0181
10	C6    -3.0618     4.9171     1.7243	C.3	1	noname	-0.0129
11	C7    -3.9836     5.7473     3.8122	C.3	1	noname	-0.0129
12	C8    -0.0523     7.8762     4.6657	C.3	1	noname	-0.0653
13	C9    -4.1868     3.2923     5.8276	C.2	1	noname	0.0248
14	C10    -2.4588     2.7185     7.4158	C.2	1	noname	-0.0156
15	C11    -5.1460     3.0637     6.8289	C.2	1	noname	0.0437
16	C12    -4.7812     2.5937     8.0764	C.2	1	noname	0.0495
17	C13    -3.4198     2.3863     8.3812	C.2	1	noname	-0.0049
18	C14    -6.8842     2.9790     8.0859	C.3	1	noname	0.1587
19	H1    -1.4092     3.5274     3.2011	H	1	noname	0.0552
20	H2    -0.5858     5.7698     2.7460	H	1	noname	0.0287
21	H3     0.2198     5.1334     4.1251	H	1	noname	0.0287
22	H4    -1.9198     7.3333     4.1324	H	1	noname	0.0264
23	H5    -1.4173     6.5352     5.6017	H	1	noname	0.0264
24	H6    -4.0545     5.0648     1.2892	H	1	noname	0.0394
25	H7    -2.5894     4.0967     1.1945	H	1	noname	0.0394
26	H8    -2.4788     5.8173     1.5464	H	1	noname	0.0394
27	H9    -5.0497     5.5553     3.6554	H	1	noname	0.0394
28	H10    -3.9067     5.7492     4.8958	H	1	noname	0.0394
29	H11    -3.8031     6.7357     3.3836	H	1	noname	0.0394
30	H12    -0.4358     8.7103     5.2532	H	1	noname	0.0230
31	H13     0.1900     8.2208     3.6604	H	1	noname	0.0230
32	H14     0.8455     7.4800     5.1402	H	1	noname	0.0230
33	H15    -4.5307     3.5139     4.9000	H	1	noname	0.0658
34	H16    -1.4771     2.5826     7.6760	H	1	noname	0.0631
35	H17    -3.1386     1.9928     9.2842	H	1	noname	0.0651
36	H18    -7.7837     2.3636     8.1034	H	1	noname	0.0892
37	H19    -7.0471     3.9592     8.5341	H	1	noname	0.0892
@<TRIPOS>BOND
1	1	8	2
2	2	15	1
3	2	18	1
4	3	16	1
5	3	18	1
6	4	5	1
7	4	10	1
8	4	11	1
9	5	6	1
10	5	8	1
11	5	19	1
12	6	7	1
13	6	20	1
14	6	21	1
15	7	12	1
16	7	22	1
17	7	23	1
18	8	9	1
19	9	13	2
20	9	14	1
21	10	24	1
22	10	25	1
23	10	26	1
24	11	27	1
25	11	28	1
26	11	29	1
27	12	30	1
28	12	31	1
29	12	32	1
30	13	15	1
31	13	33	1
32	14	17	2
33	14	34	1
34	15	16	2
35	16	17	1
36	17	35	1
37	18	36	1
38	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1