@<TRIPOS>MOLECULE
72941510
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5371     0.1832    -2.1911	O.3	1	noname	-0.2794
2	N1     2.5682     0.2687    -0.3778	N.3	1	noname	-0.0120
3	C1     1.3211    -0.0921     0.2286	C.2	1	noname	-0.0071
4	C2     2.7718     1.1444    -1.4908	C.2	1	noname	-0.0167
5	C3     0.0242    -0.1069    -0.4137	C.2	1	noname	-0.0291
6	C4     3.7598    -0.5104     0.0383	C.3	1	noname	0.0053
7	C5     1.8160     1.4224    -2.5328	C.2	1	noname	-0.0417
8	C6    -0.2954     0.3748    -1.7030	C.2	1	noname	-0.0267
9	C7     0.4798     1.0260    -2.5885	C.2	1	noname	-0.0056
10	C8     1.3360    -0.5955     1.5834	C.2	1	noname	-0.0515
11	C9     4.0589     1.7497    -1.6927	C.2	1	noname	-0.0553
12	C10    -1.0762    -0.7098     0.2930	C.2	1	noname	-0.0383
13	C11     2.2369     2.1454    -3.7061	C.2	1	noname	-0.0482
14	C12     4.5977     0.0004     1.2530	C.3	1	noname	-0.0516
15	C13     0.2512    -1.2104     2.2217	C.2	1	noname	-0.0568
16	C14     4.4617     2.4155    -2.8643	C.2	1	noname	-0.0595
17	C15    -0.9712    -1.2666     1.5777	C.2	1	noname	-0.0767
18	C16     3.5404     2.6137    -3.8829	C.2	1	noname	-0.0805
19	C17    -1.5842    -1.0495    -2.8944	C.3	1	noname	0.0423
20	H1     3.4749    -1.5492     0.2047	H	1	noname	0.0436
21	H2     4.4661    -0.4435    -0.7892	H	1	noname	0.0436
22	H3     0.0001     1.2582    -3.4471	H	1	noname	0.0657
23	H4     2.1825    -0.5744     2.1561	H	1	noname	0.0639
24	H5     4.7975     1.6952    -0.9958	H	1	noname	0.0639
25	H6    -2.0156    -0.7930    -0.1215	H	1	noname	0.0630
26	H7     1.6057     2.3249    -4.4997	H	1	noname	0.0629
27	H8     5.4327    -0.6777     1.4294	H	1	noname	0.0244
28	H9     3.9659     0.0373     2.1405	H	1	noname	0.0244
29	H10     4.9795     0.9983     1.0371	H	1	noname	0.0244
30	H11     0.3660    -1.6386     3.1436	H	1	noname	0.0623
31	H12     5.4291     2.7265    -2.9810	H	1	noname	0.0623
32	H13    -1.7683    -1.7045     2.0273	H	1	noname	0.0622
33	H14     3.8135     3.0833    -4.7488	H	1	noname	0.0622
34	H15    -2.5883    -1.2044    -3.2891	H	1	noname	0.0535
35	H16    -1.3305    -1.8645    -2.2165	H	1	noname	0.0535
36	H17    -0.8699    -1.0258    -3.7174	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	1
2	1	19	1
3	2	3	1
4	2	4	1
5	2	6	1
6	3	5	1
7	3	10	2
8	4	7	1
9	4	11	2
10	5	8	1
11	5	12	2
12	6	14	1
13	6	20	1
14	6	21	1
15	7	9	1
16	7	13	2
17	8	9	2
18	9	22	1
19	10	15	1
20	10	23	1
21	11	16	1
22	11	24	1
23	12	17	1
24	12	25	1
25	13	18	1
26	13	26	1
27	14	27	1
28	14	28	1
29	14	29	1
30	15	17	2
31	15	30	1
32	16	18	2
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
37	19	35	1
38	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1