@<TRIPOS>MOLECULE
56631561
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0250    -1.9104    -0.1570	O.3	1	noname	-0.3882
2	O2     3.9345     0.7382    -1.4783	O.3	1	noname	-0.2771
3	N1    -3.6894     0.4424     0.8512	N.3	1	noname	-0.3032
4	C1    -2.7149    -0.5501     0.2900	C.3	1	noname	0.0121
5	C2    -2.3100    -1.2615     1.6070	C.3	1	noname	-0.0362
6	C3    -3.6367    -1.5150     2.3138	C.3	1	noname	-0.0389
7	C4    -4.4374    -0.2669     1.9392	C.3	1	noname	-0.0017
8	C5    -1.5077     0.0640    -0.4955	C.3	1	noname	-0.0071
9	C6    -0.6018    -1.0605    -1.1218	C.3	1	noname	0.0807
10	C7    -4.6154     0.9864    -0.1531	C.3	1	noname	-0.0130
11	C8     0.4792    -0.4771    -1.9272	C.2	1	noname	-0.0328
12	C9     1.6948    -0.1010    -1.3181	C.2	1	noname	-0.0185
13	C10     0.3198    -0.3117    -3.3258	C.2	1	noname	-0.0600
14	C11     2.7590     0.4171    -2.0807	C.2	1	noname	0.0029
15	C12     1.3799     0.2032    -4.0811	C.2	1	noname	-0.0487
16	C13     2.5914     0.5470    -3.4721	C.2	1	noname	-0.0302
17	C14     3.9458     2.1099    -1.0595	C.3	1	noname	0.0423
18	H1    -3.2473    -1.2407    -0.3840	H	1	noname	0.0468
19	H2    -1.8409    -2.2487     1.4675	H	1	noname	0.0283
20	H3    -1.6286    -0.5959     2.1864	H	1	noname	0.0283
21	H4    -4.0768    -2.4174     1.8765	H	1	noname	0.0280
22	H5    -3.4371    -1.6575     3.3819	H	1	noname	0.0280
23	H6    -5.4167    -0.6440     1.6328	H	1	noname	0.0430
24	H7    -4.5441     0.3690     2.8155	H	1	noname	0.0430
25	H8    -1.8826     0.6886    -1.3100	H	1	noname	0.0312
26	H9    -0.9144     0.6974     0.1711	H	1	noname	0.0312
27	H10    -1.2441    -1.7165    -1.7326	H	1	noname	0.0652
28	H11    -5.2821     1.6979     0.3355	H	1	noname	0.0394
29	H12    -5.2022     0.1743    -0.5896	H	1	noname	0.0394
30	H13    -4.0650     1.4932    -0.9411	H	1	noname	0.0394
31	H14    -0.6370    -2.5336     0.1482	H	1	noname	0.2109
32	H15     1.8288    -0.2035    -0.3141	H	1	noname	0.0653
33	H16    -0.5521    -0.5562    -3.7722	H	1	noname	0.0626
34	H17     1.2605     0.3279    -5.0818	H	1	noname	0.0623
35	H18     3.3586     0.9094    -4.0336	H	1	noname	0.0650
36	H19     4.8989     2.3359    -0.5814	H	1	noname	0.0535
37	H20     3.1348     2.2803    -0.3515	H	1	noname	0.0535
38	H21     3.8124     2.7558    -1.9273	H	1	noname	0.0535
@<TRIPOS>BOND
1	9	1	1
2	1	31	1
3	2	14	1
4	2	17	1
5	3	4	1
6	3	7	1
7	3	10	1
8	4	5	1
9	4	8	1
10	4	18	1
11	5	6	1
12	5	19	1
13	5	20	1
14	6	7	1
15	6	21	1
16	6	22	1
17	7	23	1
18	7	24	1
19	8	9	1
20	8	25	1
21	8	26	1
22	9	11	1
23	9	27	1
24	10	28	1
25	10	29	1
26	10	30	1
27	11	12	2
28	11	13	1
29	12	14	1
30	12	32	1
31	13	15	2
32	13	33	1
33	14	16	2
34	15	16	1
35	15	34	1
36	16	35	1
37	17	36	1
38	17	37	1
39	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1