@<TRIPOS>MOLECULE
72941778
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4137     3.9944    -0.0415	O.3	1	noname	-0.2646
2	N1     5.9218    -2.8056     1.3860	N.3	1	noname	-0.3169
3	N2    -0.1180     0.7647    -1.7550	N.2	1	noname	-0.2440
4	C1     4.9210    -2.1337     0.5586	C.3	1	noname	0.0071
5	C2     3.7029    -1.7833     1.4154	C.3	1	noname	-0.0195
6	C3     4.4937    -3.0623    -0.5799	C.3	1	noname	-0.0495
7	C4     2.7241    -1.1261     0.6061	C.2	1	noname	-0.0699
8	C5     6.3301    -1.9183     2.4738	C.3	1	noname	-0.0161
9	C6     2.3313     0.1082     0.9083	C.2	1	noname	-0.0445
10	C7     1.4005     0.7332     0.1387	C.2	1	noname	-0.0020
11	C8     0.9612     2.0605     0.4423	C.2	1	noname	-0.0045
12	C9    -0.0163     2.7416    -0.3499	C.2	1	noname	0.0356
13	C10    -1.5263     3.9349     0.8388	C.3	1	noname	0.0587
14	C11     0.8264     0.0828    -1.0051	C.2	1	noname	-0.0101
15	C12    -0.5607     2.0491    -1.4834	C.2	1	noname	0.0209
16	C13    -1.9766     5.3548     1.1882	C.3	1	noname	-0.0384
17	C14    -2.6755     3.1883     0.1585	C.3	1	noname	-0.0384
18	H1     5.3472    -1.2209     0.1423	H	1	noname	0.0464
19	H2     3.2767    -2.6961     1.8316	H	1	noname	0.0325
20	H3     4.0073    -1.1217     2.2264	H	1	noname	0.0325
21	H4     3.7476    -2.5614    -1.1967	H	1	noname	0.0246
22	H5     4.0675    -3.9751    -0.1636	H	1	noname	0.0246
23	H6     5.3616    -3.3120    -1.1903	H	1	noname	0.0246
24	H7     6.7355    -3.0398     0.8136	H	1	noname	0.1221
25	H8     2.3387    -1.5898    -0.1791	H	1	noname	0.0576
26	H9     7.0762    -2.4193     3.0906	H	1	noname	0.0391
27	H10     5.4622    -1.6686     3.0842	H	1	noname	0.0391
28	H11     6.7563    -1.0055     2.0576	H	1	noname	0.0391
29	H12     2.7167     0.5719     1.6935	H	1	noname	0.0626
30	H13     1.3586     2.5377     1.2515	H	1	noname	0.0657
31	H14    -1.2408     3.4096     1.7502	H	1	noname	0.0602
32	H15     1.1084    -0.8635    -1.2608	H	1	noname	0.0845
33	H16    -1.2602     2.4942    -2.0776	H	1	noname	0.0867
34	H17    -2.8307     5.3091     1.8639	H	1	noname	0.0257
35	H18    -2.2621     5.8801     0.2768	H	1	noname	0.0257
36	H19    -1.1579     5.8867     1.6729	H	1	noname	0.0257
37	H20    -3.5296     3.1426     0.8342	H	1	noname	0.0257
38	H21    -2.9610     3.7136    -0.7530	H	1	noname	0.0257
39	H22    -2.3547     2.1768    -0.0905	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	12	1
2	1	13	1
3	4	2	1
4	2	8	1
5	2	24	1
6	3	14	2
7	3	15	1
8	4	5	1
9	4	6	1
10	4	18	1
11	5	7	1
12	5	19	1
13	5	20	1
14	6	21	1
15	6	22	1
16	6	23	1
17	7	9	2
18	7	25	1
19	8	26	1
20	8	27	1
21	8	28	1
22	9	10	1
23	9	29	1
24	10	11	2
25	10	14	1
26	11	12	1
27	11	30	1
28	12	15	2
29	13	16	1
30	13	17	1
31	13	31	1
32	14	32	1
33	15	33	1
34	16	34	1
35	16	35	1
36	16	36	1
37	17	37	1
38	17	38	1
39	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1