@<TRIPOS>MOLECULE
112500406
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4128    -2.8532    -0.1392	O.2	1	noname	-0.2903
2	O2     2.2420    -0.3809     0.7120	O.3	1	noname	-0.2746
3	N1    -1.2559    -1.6890    -1.6243	N.3	1	noname	-0.3042
4	C1    -0.2972    -1.2058    -0.5794	C.3	1	noname	0.1052
5	C2    -1.1205    -0.4500     0.5370	C.3	1	noname	-0.0233
6	C3    -2.1134    -1.3128     1.3640	C.3	1	noname	-0.0503
7	C4    -1.3592    -2.5267     1.9681	C.3	1	noname	-0.0462
8	C5     0.2365    -2.4655     0.0424	C.2	1	noname	0.1504
9	C6    -0.6471    -3.3354     0.8481	C.3	1	noname	0.0084
10	C7     0.7065    -0.2208    -1.1689	C.2	1	noname	-0.0136
11	C8     1.9324     0.1224    -0.5231	C.2	1	noname	0.0114
12	C9     0.4391     0.4357    -2.4105	C.2	1	noname	-0.0398
13	C10    -0.7159    -2.5441    -2.7305	C.3	1	noname	-0.0151
14	C11     2.9003     0.9210    -1.1874	C.2	1	noname	-0.0279
15	C12     1.4086     1.2415    -3.0594	C.2	1	noname	-0.0697
16	C13     2.6366     1.4812    -2.4432	C.2	1	noname	-0.0514
17	C14     2.1237     0.5669     1.7853	C.3	1	noname	0.0423
18	H1    -1.6430     0.4160     0.1113	H	1	noname	0.0293
19	H2    -0.4480    -0.0661     1.2882	H	1	noname	0.0293
20	H3    -2.9762    -1.6394     0.7842	H	1	noname	0.0267
21	H4    -2.4838    -0.7149     2.1785	H	1	noname	0.0267
22	H5    -2.0323    -3.1795     2.5244	H	1	noname	0.0271
23	H6    -0.5802    -2.1803     2.6715	H	1	noname	0.0271
24	H7    -1.4003    -3.7705     0.1869	H	1	noname	0.0347
25	H8    -0.0787    -4.1655     1.3001	H	1	noname	0.0347
26	H9    -1.9577    -2.2368    -1.1341	H	1	noname	0.1231
27	H10    -0.4692     0.3604    -2.8757	H	1	noname	0.0627
28	H11    -1.5507    -2.8102    -3.3875	H	1	noname	0.0391
29	H12    -0.2829    -3.4772    -2.3438	H	1	noname	0.0391
30	H13     0.0437    -2.0122    -3.3192	H	1	noname	0.0391
31	H14     3.7960     1.1146    -0.7390	H	1	noname	0.0650
32	H15     1.1997     1.6505    -3.9802	H	1	noname	0.0622
33	H16     3.3416     2.0724    -2.9197	H	1	noname	0.0623
34	H17     2.0206    -0.0212     2.7075	H	1	noname	0.0535
35	H18     1.2531     1.2230     1.7104	H	1	noname	0.0535
36	H19     3.0137     1.1955     1.8128	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	2
2	2	11	1
3	2	17	1
4	3	4	1
5	3	13	1
6	3	26	1
7	4	5	1
8	4	8	1
9	4	10	1
10	5	6	1
11	5	18	1
12	5	19	1
13	6	7	1
14	6	20	1
15	6	21	1
16	7	9	1
17	7	22	1
18	7	23	1
19	8	9	1
20	9	24	1
21	9	25	1
22	10	11	1
23	10	12	2
24	11	14	2
25	12	15	1
26	12	27	1
27	13	28	1
28	13	29	1
29	13	30	1
30	14	16	1
31	14	31	1
32	15	16	2
33	15	32	1
34	16	33	1
35	17	34	1
36	17	35	1
37	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1