@<TRIPOS>MOLECULE
119058019
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1621    -0.9775     0.7882	O.3	1	noname	-0.3900
2	O2     3.1529    -1.9921    -0.4501	O.3	1	noname	-0.2141
3	O3     2.1471    -0.9455    -1.8039	O.2	1	noname	-0.2416
4	N1    -3.4424    -2.7009    -1.2090	N.3	1	noname	-0.3006
5	N2     0.4745     0.0174     0.1044	N.3	1	noname	0.0017
6	N3     2.2624    -0.3696     1.2625	N.2	1	noname	-0.1982
7	N4     2.0341    -1.5105    -0.7914	N.2	1	noname	-0.1704
8	C1    -4.7385    -2.7020    -1.9875	C.3	1	noname	-0.0017
9	C2    -2.6798    -4.0037    -1.1245	C.3	1	noname	-0.0017
10	C3    -5.2769    -4.0071    -2.6090	C.3	1	noname	-0.0403
11	C4    -2.7252    -4.8648    -2.4101	C.3	1	noname	-0.0403
12	C5    -4.1799    -5.0771    -2.9130	C.3	1	noname	-0.0509
13	C6    -2.6134    -1.5023    -1.5275	C.3	1	noname	0.0259
14	C7    -1.5309    -1.2015    -0.4736	C.3	1	noname	0.0829
15	C8    -0.5664    -0.0620    -0.8686	C.3	1	noname	-0.0234
16	C9     1.6198    -0.6802     0.1262	C.2	1	noname	0.0393
17	C10     0.3842     0.7767     1.1992	C.2	1	noname	-0.0748
18	C11     1.5238     0.5261     1.9464	C.2	1	noname	0.0179
19	H1    -5.5212    -2.2340    -1.3905	H	1	noname	0.0430
20	H2    -4.5622    -1.9899    -2.7936	H	1	noname	0.0430
21	H3    -3.0510    -4.5880    -0.2825	H	1	noname	0.0430
22	H4    -1.6334    -3.7935    -0.9033	H	1	noname	0.0430
23	H5    -5.8223    -3.7758    -3.5239	H	1	noname	0.0279
24	H6    -5.9309    -4.4508    -1.8584	H	1	noname	0.0279
25	H7    -2.1374    -4.3828    -3.1913	H	1	noname	0.0279
26	H8    -2.2368    -5.8248    -2.2424	H	1	noname	0.0279
27	H9    -4.5334    -6.0591    -2.5987	H	1	noname	0.0267
28	H10    -4.0799    -5.1287    -3.9972	H	1	noname	0.0267
29	H11    -3.2607    -0.6328    -1.6418	H	1	noname	0.0458
30	H12    -2.1157    -1.6764    -2.4815	H	1	noname	0.0458
31	H13    -0.8984    -2.0825    -0.3811	H	1	noname	0.0630
32	H14    -1.1110     0.8819    -0.8959	H	1	noname	0.0501
33	H15    -0.1494    -0.3421    -1.8359	H	1	noname	0.0501
34	H16    -2.7748    -0.2160     0.7164	H	1	noname	0.2105
35	H17    -0.3743     1.4153     1.4382	H	1	noname	0.0809
36	H18     1.7598     0.9425     2.8471	H	1	noname	0.0854
37	H19     3.4641    -2.6156    -1.1391	H	1	noname	0.2598
38	H20     1.4133    -2.2029    -0.8885	H	1	noname	0.2808
@<TRIPOS>BOND
1	14	1	1
2	1	34	1
3	2	7	1
4	2	37	1
5	3	7	2
6	4	8	1
7	4	9	1
8	4	13	1
9	5	15	1
10	5	16	1
11	5	17	1
12	6	16	2
13	6	18	1
14	7	16	1
15	7	38	1
16	8	10	1
17	8	19	1
18	8	20	1
19	9	11	1
20	9	21	1
21	9	22	1
22	10	12	1
23	10	23	1
24	10	24	1
25	11	12	1
26	11	25	1
27	11	26	1
28	12	27	1
29	12	28	1
30	13	14	1
31	13	29	1
32	13	30	1
33	14	15	1
34	14	31	1
35	15	32	1
36	15	33	1
37	17	18	2
38	17	35	1
39	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1