@<TRIPOS>MOLECULE
66603768
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2576    -2.2554    -1.7177	O.3	1	noname	-0.3866
2	O2     2.6301     1.1590     1.4589	O.2	1	noname	-0.2526
3	N1     1.0718    -0.4164     0.7763	N.3	1	noname	-0.1092
4	N2    -0.3711    -3.6445     1.6973	N.3	1	noname	-0.3088
5	N3     0.3712     1.3569     1.9138	N.3	1	noname	-0.1177
6	C1     0.1527    -3.4548     0.3456	C.3	1	noname	0.0386
7	C2    -0.8569    -2.6351    -0.4876	C.3	1	noname	0.0960
8	C3     1.6263    -2.9253     0.4257	C.3	1	noname	-0.0211
9	C4     1.9227    -1.4095     0.1702	C.3	1	noname	0.0138
10	C5    -1.1864    -1.4318     0.2888	C.2	1	noname	-0.0072
11	C6    -0.2655    -0.4753     0.8253	C.2	1	noname	0.0178
12	C7    -0.6996     0.6087     1.6027	C.2	1	noname	0.0084
13	C8    -1.6436    -4.3612     1.6307	C.3	1	noname	0.0015
14	C9     1.4556     0.7367     1.3897	C.2	1	noname	0.1256
15	C10    -2.5556    -1.2740     0.5720	C.2	1	noname	-0.0404
16	C11    -2.0800     0.7468     1.9091	C.2	1	noname	-0.0267
17	C12    -3.0060    -0.2006     1.3812	C.2	1	noname	-0.0500
18	C13    -2.1919    -4.5597     3.0452	C.3	1	noname	-0.0500
19	C14    -1.4269    -5.7250     0.9717	C.3	1	noname	-0.0500
20	H1     0.2625    -4.4314    -0.1260	H	1	noname	0.0495
21	H2    -1.7797    -3.1827    -0.6792	H	1	noname	0.0669
22	H3     2.0698    -3.2274     1.3745	H	1	noname	0.0297
23	H4     2.1927    -3.4414    -0.3494	H	1	noname	0.0297
24	H5     1.9864    -1.2276    -0.9026	H	1	noname	0.0441
25	H6     2.9490    -1.1927     0.4665	H	1	noname	0.0441
26	H7     0.2969    -4.1869     2.2486	H	1	noname	0.1228
27	H8    -2.3562    -3.7827     1.0427	H	1	noname	0.0459
28	H9    -3.2302    -1.9379     0.1917	H	1	noname	0.0627
29	H10     0.3688     2.1852     2.4185	H	1	noname	0.1385
30	H11    -2.4045     1.5133     2.4987	H	1	noname	0.0639
31	H12     0.0017    -3.0582    -2.2162	H	1	noname	0.2109
32	H13    -4.0003    -0.1052     1.5876	H	1	noname	0.0623
33	H14    -3.1406    -5.0941     2.9955	H	1	noname	0.0246
34	H15    -2.3756    -6.2594     0.9221	H	1	noname	0.0246
35	H16    -1.0363    -5.5836    -0.0360	H	1	noname	0.0246
36	H17    -0.7144    -6.3035     1.5597	H	1	noname	0.0246
37	H18    -2.3463    -3.5881     3.5147	H	1	noname	0.0246
38	H19    -1.4793    -5.1382     3.6332	H	1	noname	0.0246
@<TRIPOS>BOND
1	7	1	1
2	1	31	1
3	2	14	2
4	3	9	1
5	3	11	1
6	3	14	1
7	6	4	1
8	4	13	1
9	4	26	1
10	5	12	1
11	5	14	1
12	5	29	1
13	6	7	1
14	6	8	1
15	6	20	1
16	7	10	1
17	7	21	1
18	8	9	1
19	8	22	1
20	8	23	1
21	9	24	1
22	9	25	1
23	10	11	2
24	10	15	1
25	11	12	1
26	12	16	2
27	13	18	1
28	13	19	1
29	13	27	1
30	15	17	2
31	15	28	1
32	16	17	1
33	16	30	1
34	17	32	1
35	18	33	1
36	18	37	1
37	18	38	1
38	19	34	1
39	19	35	1
40	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1