@<TRIPOS>MOLECULE
72710658
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2180    -0.0968     2.7877	O.2	1	noname	-0.2920
2	N1    -2.8955    -1.4263     0.5131	N.3	1	noname	-0.2932
3	C1    -3.2441    -0.1407    -0.1384	C.3	1	noname	-0.0010
4	C2    -2.7845    -2.2423    -0.7248	C.3	1	noname	-0.0010
5	C3    -1.6828    -1.4074     1.4092	C.3	1	noname	0.0731
6	C4    -4.4232    -0.5449    -1.0234	C.3	1	noname	-0.0392
7	C5    -4.0018    -1.9117    -1.5846	C.3	1	noname	-0.0392
8	C6    -1.2952    -2.7954     2.0260	C.3	1	noname	-0.0329
9	C7    -2.0412    -0.4759     2.6032	C.2	1	noname	0.1002
10	C8    -2.4575    -3.3204     2.8711	C.3	1	noname	-0.0634
11	C9    -0.9677    -0.0537     3.5060	C.2	1	noname	-0.0180
12	C10     0.4273    -0.0470     3.1416	C.2	1	noname	-0.0178
13	C11    -1.4090     0.2409     4.8256	C.2	1	noname	-0.0178
14	C12     1.4170     0.2107     4.1253	C.2	1	noname	-0.0479
15	C13    -0.4414     0.5320     5.8332	C.2	1	noname	-0.0479
16	C14     0.9530     0.4980     5.4597	C.2	1	noname	-0.0401
17	H1    -2.7999    -3.3007    -0.4649	H	1	noname	0.0430
18	H2    -1.8670    -1.9617    -1.2420	H	1	noname	0.0430
19	H3    -3.5829     0.5690     0.6163	H	1	noname	0.0430
20	H4    -2.3982     0.2171    -0.7254	H	1	noname	0.0430
21	H5    -0.8328    -1.0103     0.8359	H	1	noname	0.0553
22	H6    -4.7894    -2.6408    -1.3949	H	1	noname	0.0280
23	H7    -3.7127    -1.8858    -2.6353	H	1	noname	0.0280
24	H8    -5.3151    -0.6640    -0.4083	H	1	noname	0.0280
25	H9    -4.6454     0.1866    -1.8004	H	1	noname	0.0280
26	H10    -1.0807    -3.5020     1.2242	H	1	noname	0.0284
27	H11    -0.4122    -2.6799     2.6544	H	1	noname	0.0284
28	H12    -2.1880    -4.2856     3.2999	H	1	noname	0.0231
29	H13    -3.3406    -3.4360     2.2426	H	1	noname	0.0231
30	H14    -2.6721    -2.6138     3.6728	H	1	noname	0.0231
31	H15     0.7029    -0.2276     2.1763	H	1	noname	0.0630
32	H16    -2.4042     0.2439     5.0489	H	1	noname	0.0630
33	H17     2.4113     0.1934     3.8987	H	1	noname	0.0622
34	H18    -0.7256     0.7570     6.7866	H	1	noname	0.0622
35	H19     1.6490     0.6879     6.1807	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	9	2
2	2	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	19	1
7	3	20	1
8	4	7	1
9	4	17	1
10	4	18	1
11	5	8	1
12	5	9	1
13	5	21	1
14	6	7	1
15	6	24	1
16	6	25	1
17	7	22	1
18	7	23	1
19	8	10	1
20	8	26	1
21	8	27	1
22	9	11	1
23	10	28	1
24	10	29	1
25	10	30	1
26	11	12	2
27	11	13	1
28	12	14	1
29	12	31	1
30	13	15	2
31	13	32	1
32	14	16	2
33	14	33	1
34	15	16	1
35	15	34	1
36	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1