@<TRIPOS>MOLECULE
724708-21-8
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1    -2.3959     3.2020    -2.6702	C.3	1	noname	-0.0123
2	C2    -3.6303     2.6651    -3.4403	C.3	1	noname	0.0072
3	N1    -3.4513     2.3358    -4.8214	N.3	1	noname	-0.0716
4	C3    -2.3188     2.0102    -5.5072	C.2	1	noname	0.0169
5	O1    -2.4934     1.8054    -6.7306	O.2	1	noname	-0.2895
6	C4    -1.0037     1.8940    -4.9948	C.2	1	noname	-0.0467
7	C5    -0.5701     1.9787    -3.6596	C.2	1	noname	0.0192
8	C6    -1.3838     2.1555    -2.5395	C.2	1	noname	0.0265
9	C7    -1.2672     1.3392    -1.4621	C.2	1	noname	0.0291
10	C8    -1.9282     1.3067    -0.2521	C.2	1	noname	0.1304
11	O2    -2.8096     2.0820     0.1794	O.2	1	noname	-0.2522
12	N2    -1.4983     0.2954     0.4615	N.2	1	noname	-0.1574
13	C9    -0.6076    -0.2988    -0.2310	C.2	1	noname	-0.0789
14	N3    -0.4558     0.3051    -1.3771	N.3	1	noname	0.0094
15	N4     0.0579    -1.3665     0.1351	N.3	1	noname	-0.1236
16	C10     0.8234     1.8562    -3.7013	C.2	1	noname	-0.0138
17	C11     1.8160     1.9342    -2.7027	C.2	1	noname	-0.0360
18	C12     3.1615     1.7080    -3.0636	C.2	1	noname	-0.0535
19	C13     3.5087     1.4356    -4.4060	C.2	1	noname	-0.0509
20	C14     2.5153     1.4091    -5.4070	C.2	1	noname	-0.0408
21	C15     1.1805     1.6288    -5.0279	C.2	1	noname	-0.0660
22	N5     0.0723     1.6681    -5.7755	N.3	1	noname	-0.0249
23	H1    -1.9365     3.9776    -3.2829	H	1	noname	0.0330
24	H2    -2.7147     3.4286    -1.6527	H	1	noname	0.0330
25	H3    -3.8925     1.7099    -2.9853	H	1	noname	0.0436
26	H4    -4.3597     3.4746    -3.4666	H	1	noname	0.0436
27	H5    -4.2674     2.3327    -5.4165	H	1	noname	0.1313
28	H6     0.1943     0.0146    -2.0934	H	1	noname	0.1369
29	H7    -0.4279    -2.2407     0.2761	H	1	noname	0.1268
30	H8     1.0567    -1.3154     0.2761	H	1	noname	0.1268
31	H9     1.5485     2.1650    -1.6716	H	1	noname	0.0629
32	H10     3.9383     1.7440    -2.2998	H	1	noname	0.0622
33	H11     4.5486     1.2448    -4.6709	H	1	noname	0.0623
34	H12     2.7733     1.2231    -6.4496	H	1	noname	0.0642
35	H13     0.0510     1.5456    -6.7779	H	1	noname	0.1529
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	2
5	4	6	1
6	6	7	2
7	7	8	1
8	1	8	1
9	8	9	2
10	9	10	1
11	10	11	2
12	10	12	1
13	12	13	2
14	13	14	1
15	9	14	1
16	13	15	1
17	7	16	1
18	16	17	2
19	17	18	1
20	18	19	2
21	19	20	1
22	20	21	2
23	16	21	1
24	21	22	1
25	6	22	1
26	1	23	1
27	1	24	1
28	2	25	1
29	2	26	1
30	3	27	1
31	14	28	1
32	15	29	1
33	15	30	1
34	17	31	1
35	18	32	1
36	19	33	1
37	20	34	1
38	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1