@<TRIPOS>MOLECULE
71587611
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6934     2.1242     0.2047	O.2	1	noname	-0.2963
2	O2    -3.7656    -2.6603     0.6115	O.3	1	noname	-0.2148
3	O3    -1.5891    -2.1133     0.4207	O.2	1	noname	-0.2506
4	N1    -1.9481     0.1901    -0.6537	N.3	1	noname	-0.0734
5	C1     3.0356     0.1355    -0.4643	C.3	1	noname	-0.0533
6	C2     4.4670     0.6003    -0.1886	C.3	1	noname	-0.0533
7	C3     2.0521     1.2156    -0.0093	C.3	1	noname	-0.0528
8	C4     5.4505    -0.4798    -0.6436	C.3	1	noname	-0.0533
9	C5     0.6207     0.7507    -0.2850	C.3	1	noname	-0.0450
10	C6     6.8819    -0.0150    -0.3679	C.3	1	noname	-0.0535
11	C7     7.8654    -1.0951    -0.8229	C.3	1	noname	-0.0561
12	C8    -0.3628     1.8308     0.1699	C.3	1	noname	0.0212
13	C9     9.2968    -0.6302    -0.5472	C.3	1	noname	-0.0654
14	C10    -1.7287     1.3873    -0.0931	C.2	1	noname	0.0399
15	C11    -3.1298    -0.5204    -0.3590	C.3	1	noname	0.0888
16	C12    -2.7876    -1.8052     0.2443	C.2	1	noname	0.1423
17	H1     2.8413    -0.7868     0.0833	H	1	noname	0.0266
18	H2     2.9109    -0.0430    -1.5323	H	1	noname	0.0266
19	H3     4.5918     0.7787     0.8794	H	1	noname	0.0266
20	H4     4.6613     1.5225    -0.7362	H	1	noname	0.0266
21	H5     2.1769     1.3940     1.0587	H	1	noname	0.0267
22	H6     2.2464     2.1378    -0.5569	H	1	noname	0.0267
23	H7     5.2562    -1.4020    -0.0960	H	1	noname	0.0266
24	H8     5.3258    -0.6582    -1.7116	H	1	noname	0.0266
25	H9     0.4264    -0.1715     0.2626	H	1	noname	0.0271
26	H10     0.4960     0.5723    -1.3530	H	1	noname	0.0271
27	H11     7.0067     0.1635     0.7001	H	1	noname	0.0266
28	H12     7.0762     0.9073    -0.9155	H	1	noname	0.0266
29	H13     7.6711    -2.0173    -0.2753	H	1	noname	0.0264
30	H14     7.7407    -1.2735    -1.8909	H	1	noname	0.0264
31	H15    -0.2380     2.0093     1.2380	H	1	noname	0.0361
32	H16    -0.1685     2.7531    -0.3776	H	1	noname	0.0361
33	H17     9.9975    -1.3997    -0.8713	H	1	noname	0.0230
34	H18     9.4215    -0.4518     0.5208	H	1	noname	0.0230
35	H19     9.4911     0.2920    -1.0948	H	1	noname	0.0230
36	H20    -1.2940    -0.1877    -1.2622	H	1	noname	0.1315
37	H21    -3.7373     0.0577     0.3374	H	1	noname	0.0541
38	H22    -3.6914    -0.6886    -1.2779	H	1	noname	0.0541
39	H23    -3.6251    -3.2708     1.3652	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	14	2
2	2	16	1
3	2	39	1
4	3	16	2
5	4	14	1
6	4	15	1
7	4	36	1
8	5	6	1
9	5	7	1
10	5	17	1
11	5	18	1
12	6	8	1
13	6	19	1
14	6	20	1
15	7	9	1
16	7	21	1
17	7	22	1
18	8	10	1
19	8	23	1
20	8	24	1
21	9	12	1
22	9	25	1
23	9	26	1
24	10	11	1
25	10	27	1
26	10	28	1
27	11	13	1
28	11	29	1
29	11	30	1
30	12	14	1
31	12	31	1
32	12	32	1
33	13	33	1
34	13	34	1
35	13	35	1
36	15	16	1
37	15	37	1
38	15	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1