@<TRIPOS>MOLECULE
91799726
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8170    -0.0503     1.0427	O.2	1	noname	-0.2709
2	O2     0.7893    -0.4299     2.7756	O.3	1	noname	-0.3915
3	N1    -2.9629    -2.4559     1.5570	N.3	1	noname	-0.2923
4	N2    -3.3790    -5.1567     2.7926	N.3	1	noname	-0.3141
5	N3    -0.7178    -0.8478    -0.8498	N.3	1	noname	-0.1346
6	C1    -4.3483    -3.0281     1.6327	C.3	1	noname	0.0113
7	C2    -1.8512    -3.1665     2.3036	C.3	1	noname	0.0113
8	C3    -4.5607    -4.2627     2.5810	C.3	1	noname	0.0081
9	C4    -2.0121    -4.7156     2.3817	C.3	1	noname	0.0081
10	C5    -2.6594    -2.1449     0.1421	C.3	1	noname	0.0729
11	C6    -1.7142    -0.9329     0.1635	C.2	1	noname	0.1365
12	C7     0.4054    -0.0949    -0.6742	C.2	1	noname	-0.0178
13	C8     1.2694    -0.1570     0.4897	C.2	1	noname	-0.0214
14	C9     0.6561     0.8267    -1.7377	C.2	1	noname	-0.0314
15	C10     2.3819     0.7457     0.5756	C.2	1	noname	-0.0521
16	C11     1.7626     1.7366    -1.6418	C.2	1	noname	-0.0597
17	C12     1.0115    -1.1212     1.5553	C.3	1	noname	0.0698
18	C13    -0.2079     0.8427    -2.9146	C.3	1	noname	0.0057
19	C14     2.5971     1.6753    -0.4855	C.2	1	noname	-0.0612
20	H1    -5.0529    -2.2402     1.8987	H	1	noname	0.0443
21	H2    -4.6023    -3.3029     0.6089	H	1	noname	0.0443
22	H3    -1.7713    -2.7582     3.3111	H	1	noname	0.0443
23	H4    -0.8984    -2.9549     1.8183	H	1	noname	0.0443
24	H5    -1.7632    -5.1559     1.4161	H	1	noname	0.0441
25	H6    -1.2706    -5.1289     3.0655	H	1	noname	0.0441
26	H7    -5.4042    -4.8538     2.2246	H	1	noname	0.0441
27	H8    -4.7761    -3.8367     3.5609	H	1	noname	0.0441
28	H9    -3.5801    -1.8785    -0.3770	H	1	noname	0.0527
29	H10    -2.2098    -2.9714    -0.4083	H	1	noname	0.0527
30	H11    -3.5734    -6.0780     2.3955	H	1	noname	0.1223
31	H12    -0.8402    -1.3342    -1.6801	H	1	noname	0.1371
32	H13     3.0076     0.7232     1.3808	H	1	noname	0.0626
33	H14     1.9482     2.4117    -2.3835	H	1	noname	0.0625
34	H15     0.1293    -1.7110     1.3060	H	1	noname	0.0615
35	H16     1.8716    -1.7819     1.6634	H	1	noname	0.0615
36	H17    -0.6684     1.8256    -3.0139	H	1	noname	0.0280
37	H18    -0.9853     0.0866    -2.8048	H	1	noname	0.0280
38	H19     0.3851     0.6278    -3.8036	H	1	noname	0.0280
39	H20     3.3811     2.3239    -0.4146	H	1	noname	0.0622
40	H21     0.6162    -1.0771     3.4909	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	11	2
2	2	17	1
3	2	40	1
4	3	6	1
5	3	7	1
6	3	10	1
7	4	8	1
8	4	9	1
9	4	30	1
10	5	11	1
11	5	12	1
12	5	31	1
13	6	8	1
14	6	20	1
15	6	21	1
16	7	9	1
17	7	22	1
18	7	23	1
19	8	26	1
20	8	27	1
21	9	24	1
22	9	25	1
23	10	11	1
24	10	28	1
25	10	29	1
26	12	13	1
27	12	14	2
28	13	15	2
29	13	17	1
30	14	16	1
31	14	18	1
32	15	19	1
33	15	32	1
34	16	19	2
35	16	33	1
36	17	34	1
37	17	35	1
38	18	36	1
39	18	37	1
40	18	38	1
41	19	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1