@<TRIPOS>MOLECULE
71401588
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5424    -1.1065     0.7004	O.3	1	noname	-0.3628
2	N1     0.7944    -0.4265     1.4546	N.2	1	noname	-0.2394
3	N2     5.7683    -0.0233     3.4314	N.3	1	noname	-0.3282
4	C1     2.6652    -0.3963    -0.1613	C.3	1	noname	0.1322
5	C2     2.0164    -1.3327    -1.0745	C.2	1	noname	-0.0385
6	C3     1.6510     0.2893     0.6342	C.2	1	noname	0.0194
7	C4     3.4627     0.6315    -0.9665	C.3	1	noname	-0.0257
8	C5     4.1735    -0.1958     1.5885	C.3	1	noname	0.0607
9	C6     2.3072    -2.6899    -1.0006	C.2	1	noname	-0.0465
10	C7     1.1079    -0.8669    -2.0178	C.2	1	noname	-0.0465
11	C8     1.5225     1.7182     0.5813	C.2	1	noname	-0.0113
12	C9     5.1186    -0.9610     2.5170	C.3	1	noname	0.0161
13	C10     1.6895    -3.5814    -1.8700	C.2	1	noname	-0.0577
14	C11     0.4902    -1.7584    -2.8872	C.2	1	noname	-0.0577
15	C12     0.5083     2.3276     1.3856	C.2	1	noname	-0.0373
16	C13     0.7810    -3.1156    -2.8133	C.2	1	noname	-0.0609
17	C14    -0.1952     0.1379     2.2429	C.2	1	noname	0.0008
18	C15    -0.3632     1.5635     2.2244	C.2	1	noname	-0.0258
19	H1     2.7893     1.1767    -1.6280	H	1	noname	0.0267
20	H2     3.9471     1.3306    -0.2848	H	1	noname	0.0267
21	H3     4.2199     0.1196    -1.5605	H	1	noname	0.0267
22	H4     3.4163     0.3161     2.1825	H	1	noname	0.0580
23	H5     4.7416     0.5365     1.0149	H	1	noname	0.0580
24	H6     2.9738    -3.0317    -0.3084	H	1	noname	0.0626
25	H7     0.8945     0.1290    -2.0720	H	1	noname	0.0626
26	H8     2.1342     2.2804    -0.0104	H	1	noname	0.0642
27	H9     4.5505    -1.6933     3.0906	H	1	noname	0.0449
28	H10     5.8758    -1.4729     1.9230	H	1	noname	0.0449
29	H11     1.9028    -4.5774    -1.8157	H	1	noname	0.0622
30	H12    -0.1765    -1.4166    -3.5794	H	1	noname	0.0622
31	H13     0.4030     3.3419     1.3602	H	1	noname	0.0623
32	H14     0.3277    -3.7698    -3.4512	H	1	noname	0.0622
33	H15    -0.7931    -0.4483     2.8254	H	1	noname	0.0839
34	H16    -1.0804     2.0168     2.7906	H	1	noname	0.0638
35	H17     6.3997    -0.5345     4.0516	H	1	noname	0.1185
36	H18     5.0584     0.4566     3.9883	H	1	noname	0.1185
@<TRIPOS>BOND
1	1	4	1
2	1	8	1
3	2	6	1
4	2	17	2
5	3	12	1
6	3	35	1
7	3	36	1
8	4	5	1
9	4	6	1
10	4	7	1
11	5	9	2
12	5	10	1
13	6	11	2
14	7	19	1
15	7	20	1
16	7	21	1
17	8	12	1
18	8	22	1
19	8	23	1
20	9	13	1
21	9	24	1
22	10	14	2
23	10	25	1
24	11	15	1
25	11	26	1
26	12	27	1
27	12	28	1
28	13	16	2
29	13	29	1
30	14	16	1
31	14	30	1
32	15	18	2
33	15	31	1
34	16	32	1
35	17	18	1
36	17	33	1
37	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1