@<TRIPOS>MOLECULE
76210635
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.5375     2.3547    -1.1444	O.3	1	noname	-0.1891
2	O2     2.9844     3.7841    -0.3588	O.2	1	noname	-0.2306
3	N1     0.2783     0.9308     0.2801	N.3	1	noname	-0.0158
4	N2     0.7733     3.0889     0.3866	N.2	1	noname	-0.2072
5	N3     2.4426     1.6089    -0.4500	N.3	1	noname	-0.0824
6	C1    -4.4677     1.6123     1.6560	C.3	1	noname	0.0074
7	C2    -5.2768     1.6065     0.3574	C.3	1	noname	-0.0495
8	C3    -3.1037     2.0522     1.3777	C.2	1	noname	-0.0430
9	C4    -0.7973     1.5688     0.7549	C.2	1	noname	-0.0555
10	C5    -6.7062     1.1455     0.6491	C.3	1	noname	-0.0558
11	C6    -2.1025     1.0807     1.0362	C.2	1	noname	-0.0370
12	C7    -0.4827     2.9407     0.8224	C.2	1	noname	0.0072
13	C8    -2.7820     3.4517     1.4494	C.2	1	noname	-0.0457
14	C9    -1.4511     3.9186     1.1786	C.2	1	noname	-0.0109
15	C10     1.2248     1.8636     0.0477	C.2	1	noname	0.0001
16	C11    -7.5152     1.1398    -0.6495	C.3	1	noname	-0.0654
17	C12     3.3106     2.6113    -0.6430	C.2	1	noname	0.1372
18	C13     5.6373     3.1787    -0.7867	C.3	1	noname	0.0467
19	H1    -4.9308     2.2938     2.3696	H	1	noname	0.0316
20	H2    -4.4467     0.6064     2.0754	H	1	noname	0.0316
21	H3    -5.2978     2.6124    -0.0620	H	1	noname	0.0270
22	H4    -4.8137     0.9250    -0.3562	H	1	noname	0.0270
23	H5    -7.1693     1.8271     1.3626	H	1	noname	0.0264
24	H6    -6.6851     0.1397     1.0684	H	1	noname	0.0264
25	H7    -2.3184     0.0846     0.9972	H	1	noname	0.0646
26	H8    -3.5096     4.1227     1.6961	H	1	noname	0.0626
27	H9    -1.2113     4.9082     1.2391	H	1	noname	0.0646
28	H10     0.3621    -0.0240     0.1308	H	1	noname	0.1553
29	H11    -8.5336     0.8114    -0.4417	H	1	noname	0.0230
30	H12    -7.5363     2.1457    -1.0689	H	1	noname	0.0230
31	H13    -7.0521     0.4583    -1.3631	H	1	noname	0.0230
32	H14     2.6958     0.6989    -0.6705	H	1	noname	0.1425
33	H15     6.5376     2.8197    -1.2854	H	1	noname	0.0536
34	H16     5.4370     4.2053    -1.0934	H	1	noname	0.0536
35	H17     5.7815     3.1437     0.2931	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	17	1
2	1	18	1
3	2	17	2
4	3	9	1
5	3	15	1
6	3	28	1
7	4	12	1
8	4	15	2
9	5	15	1
10	5	17	1
11	5	32	1
12	6	7	1
13	6	8	1
14	6	19	1
15	6	20	1
16	7	10	1
17	7	21	1
18	7	22	1
19	8	11	2
20	8	13	1
21	9	11	1
22	9	12	2
23	10	16	1
24	10	23	1
25	10	24	1
26	11	25	1
27	12	14	1
28	13	14	2
29	13	26	1
30	14	27	1
31	16	29	1
32	16	30	1
33	16	31	1
34	18	33	1
35	18	34	1
36	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1