@<TRIPOS>MOLECULE
91618033
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -3.8555     5.8752     0.0000	N.1	1	noname	-0.1887
2	C1     1.4266     0.0183     0.0000	C.3	1	noname	-0.0533
3	C2     2.0110    -1.3957     0.0000	C.3	1	noname	-0.0533
4	C3    -0.1013    -0.0613     0.0000	C.3	1	noname	-0.0533
5	C4     3.5389    -1.3160     0.0000	C.3	1	noname	-0.0533
6	C5    -0.6858     1.3526     0.0000	C.3	1	noname	-0.0530
7	C6     4.1233    -2.7300     0.0000	C.3	1	noname	-0.0535
8	C7    -2.2137     1.2730     0.0000	C.3	1	noname	-0.0498
9	C8     5.6512    -2.6503     0.0000	C.3	1	noname	-0.0561
10	C9    -2.7981     2.6870     0.0000	C.3	1	noname	-0.0340
11	C10     6.2357    -4.0643     0.0000	C.3	1	noname	-0.0654
12	C11    -4.2262     2.6125     0.0000	C.2	1	noname	-0.0380
13	C12    -4.9502     3.7282     0.0000	C.2	1	noname	0.0094
14	C13    -4.3770     4.8525     0.0000	C.1	1	noname	0.0529
15	H1     1.7627     0.5504     0.8900	H	1	noname	0.0266
16	H2     1.7627     0.5504    -0.8900	H	1	noname	0.0266
17	H3     1.6749    -1.9277    -0.8900	H	1	noname	0.0266
18	H4     1.6749    -1.9277     0.8900	H	1	noname	0.0266
19	H5    -0.4374    -0.5934    -0.8900	H	1	noname	0.0266
20	H6    -0.4374    -0.5934     0.8900	H	1	noname	0.0266
21	H7     3.8750    -0.7840    -0.8900	H	1	noname	0.0266
22	H8     3.8750    -0.7840     0.8900	H	1	noname	0.0266
23	H9    -0.3497     1.8847    -0.8900	H	1	noname	0.0267
24	H10    -0.3497     1.8847     0.8900	H	1	noname	0.0267
25	H11     3.7872    -3.2621    -0.8900	H	1	noname	0.0266
26	H12     3.7872    -3.2621     0.8900	H	1	noname	0.0266
27	H13    -2.5498     0.7409    -0.8900	H	1	noname	0.0270
28	H14    -2.5498     0.7409     0.8900	H	1	noname	0.0270
29	H15     5.9873    -2.1183    -0.8900	H	1	noname	0.0264
30	H16     5.9873    -2.1183     0.8900	H	1	noname	0.0264
31	H17    -2.4620     3.2190    -0.8900	H	1	noname	0.0310
32	H18    -2.4620     3.2190     0.8900	H	1	noname	0.0310
33	H19     7.3242    -4.0076     0.0000	H	1	noname	0.0230
34	H20     5.8996    -4.5964    -0.8900	H	1	noname	0.0230
35	H21     5.8996    -4.5964     0.8900	H	1	noname	0.0230
36	H22    -4.6758     1.7306     0.0000	H	1	noname	0.0583
37	H23    -5.9389     3.6766     0.0000	H	1	noname	0.0738
@<TRIPOS>BOND
1	1	14	3
2	2	3	1
3	2	4	1
4	2	15	1
5	2	16	1
6	3	5	1
7	3	17	1
8	3	18	1
9	4	6	1
10	4	19	1
11	4	20	1
12	5	7	1
13	5	21	1
14	5	22	1
15	6	8	1
16	6	23	1
17	6	24	1
18	7	9	1
19	7	25	1
20	7	26	1
21	8	10	1
22	8	27	1
23	8	28	1
24	9	11	1
25	9	29	1
26	9	30	1
27	10	12	1
28	10	31	1
29	10	32	1
30	11	33	1
31	11	34	1
32	11	35	1
33	12	13	2
34	12	36	1
35	13	14	1
36	13	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1