@<TRIPOS>MOLECULE
161058-83-9
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1    -2.6656     0.3192     1.5721	C.3	1	noname	-0.0533
2	C2    -2.2509     1.3776     0.5183	C.3	1	noname	-0.0529
3	C3    -0.7531     1.2536     0.1327	C.3	1	noname	-0.0482
4	C4    -0.3852    -0.1886    -0.3392	C.3	1	noname	-0.0172
5	C5    -0.8141    -1.2481     0.7243	C.3	1	noname	-0.0482
6	C6    -2.3127    -1.1170     1.1071	C.3	1	noname	-0.0529
7	C7     1.1225    -0.3153    -0.6947	C.3	1	noname	0.0580
8	O1     1.4598     0.6299    -1.7320	O.3	1	noname	-0.2340
9	C8     2.7840     0.5973    -2.0572	C.2	1	noname	0.0692
10	N1     3.2297    -0.1847    -3.0778	N.2	1	noname	-0.2167
11	C9     4.5503    -0.2661    -3.4087	C.2	1	noname	0.0682
12	N2     5.4802     0.4485    -2.7105	N.2	1	noname	-0.2144
13	C10     5.0778     1.2503    -1.6927	C.2	1	noname	0.1001
14	C11     3.7333     1.3535    -1.3535	C.2	1	noname	0.0201
15	N3     3.6334     2.2067    -0.3336	N.3	1	noname	-0.0094
16	C12     4.8810     2.6047    -0.0344	C.2	1	noname	-0.0220
17	N4     5.7837     2.0340    -0.8608	N.2	1	noname	-0.1889
18	N5     4.9182    -1.0640    -4.4215	N.3	1	noname	-0.0829
19	H1    -2.0583     0.5130     2.4563	H	1	noname	0.0266
20	H2    -3.7528     0.3617     1.6376	H	1	noname	0.0266
21	H3    -2.8186     1.1486    -0.3836	H	1	noname	0.0267
22	H4    -2.3628     2.3485     1.0009	H	1	noname	0.0267
23	H5    -0.6081     1.9045    -0.7295	H	1	noname	0.0270
24	H6    -0.1896     1.4293     1.0490	H	1	noname	0.0270
25	H7    -0.9383    -0.3876    -1.2571	H	1	noname	0.0326
26	H8    -0.7080    -2.2220     0.2465	H	1	noname	0.0270
27	H9    -0.2498    -1.0203     1.6286	H	1	noname	0.0270
28	H10    -2.8785    -1.2887     0.1914	H	1	noname	0.0267
29	H11    -2.4653    -1.7634     1.9714	H	1	noname	0.0267
30	H12     1.7008    -0.0079     0.1766	H	1	noname	0.0575
31	H13     1.2828    -1.2991    -1.1358	H	1	noname	0.0575
32	H14     2.7798     2.4951     0.1230	H	1	noname	0.1539
33	H15     5.1277     3.2972     0.7703	H	1	noname	0.1014
34	H16     4.2347    -1.3646    -5.1016	H	1	noname	0.1273
35	H17     5.8789    -1.3646    -4.5043	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	1
6	1	6	1
7	4	7	1
8	7	8	1
9	8	9	1
10	9	10	2
11	10	11	1
12	11	12	2
13	12	13	1
14	13	14	2
15	9	14	1
16	14	15	1
17	15	16	1
18	16	17	2
19	13	17	1
20	11	18	1
21	1	19	1
22	1	20	1
23	2	21	1
24	2	22	1
25	3	23	1
26	3	24	1
27	4	25	1
28	5	26	1
29	5	27	1
30	6	28	1
31	6	29	1
32	7	30	1
33	7	31	1
34	15	32	1
35	16	33	1
36	18	34	1
37	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1