@<TRIPOS>MOLECULE
57367253
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0178    -3.1194    -0.9309	O.3	1	noname	-0.3870
2	O2    -1.6899    -2.6043     5.2205	O.3	1	noname	-0.2793
3	O3     1.0906    -4.6913     3.4022	O.2	1	noname	-0.3006
4	N1    -1.9685    -0.7987    -2.2579	N.3	1	noname	-0.3091
5	C1    -3.0572     0.0279    -2.7764	C.3	1	noname	0.0099
6	C2    -2.1469    -0.9937    -0.8200	C.3	1	noname	0.0260
7	C3    -1.0076    -1.8587    -0.2774	C.3	1	noname	0.0916
8	C4    -2.8704     0.2320    -4.2812	C.3	1	noname	-0.0474
9	C5    -4.3944    -0.6694    -2.5184	C.3	1	noname	-0.0474
10	C6    -3.0461     1.3862    -2.0723	C.3	1	noname	-0.0474
11	C7    -1.1858    -2.0535     1.1586	C.2	1	noname	-0.0429
12	C8    -0.2679    -2.8113     1.8763	C.2	1	noname	-0.0021
13	C9    -2.2734    -1.4810     1.8079	C.2	1	noname	-0.0229
14	C10    -0.4375    -2.9967     3.2434	C.2	1	noname	0.0079
15	C11    -2.4430    -1.6664     3.1749	C.2	1	noname	-0.0179
16	C12    -1.5251    -2.4243     3.8927	C.2	1	noname	0.0340
17	C13     0.4804    -3.7545     3.9612	C.2	1	noname	0.0995
18	H1    -1.0753    -0.3329    -2.4303	H	1	noname	0.1228
19	H2    -3.0996    -1.4905    -0.6362	H	1	noname	0.0458
20	H3    -2.1390    -0.0260    -0.3184	H	1	noname	0.0458
21	H4    -0.0549    -1.3619    -0.4612	H	1	noname	0.0665
22	H5    -3.6821     0.8483    -4.6678	H	1	noname	0.0249
23	H6    -3.8578     2.0025    -2.4589	H	1	noname	0.0249
24	H7    -3.1792     1.2408    -1.0003	H	1	noname	0.0249
25	H8    -2.0935     1.8830    -2.2561	H	1	noname	0.0249
26	H9    -5.2061    -0.0531    -2.9050	H	1	noname	0.0249
27	H10    -4.5274    -0.8148    -1.4464	H	1	noname	0.0249
28	H11    -4.4023    -1.6371    -3.0201	H	1	noname	0.0249
29	H12    -2.8783    -0.7357    -4.7829	H	1	noname	0.0249
30	H13    -1.9178     0.7288    -4.4650	H	1	noname	0.0249
31	H14     0.5302    -3.2313     1.3999	H	1	noname	0.0634
32	H15    -2.9469    -0.9249     1.2811	H	1	noname	0.0627
33	H16    -1.8743    -3.5660    -0.7656	H	1	noname	0.2109
34	H17    -3.2411    -1.2464     3.6514	H	1	noname	0.0650
35	H18     0.6560    -3.5462     4.9442	H	1	noname	0.1099
36	H19    -2.4994    -2.1374     5.5155	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	7	1
2	1	33	1
3	2	16	1
4	2	36	1
5	3	17	2
6	4	5	1
7	4	6	1
8	4	18	1
9	5	8	1
10	5	9	1
11	5	10	1
12	6	7	1
13	6	19	1
14	6	20	1
15	7	11	1
16	7	21	1
17	8	22	1
18	8	29	1
19	8	30	1
20	9	26	1
21	9	27	1
22	9	28	1
23	10	23	1
24	10	24	1
25	10	25	1
26	11	12	2
27	11	13	1
28	12	14	1
29	12	31	1
30	13	15	2
31	13	32	1
32	14	16	2
33	14	17	1
34	15	16	1
35	15	34	1
36	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1