@<TRIPOS>MOLECULE
72941546
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9135    -2.8077    -1.0334	O.3	1	noname	-0.2140
2	O2     0.9939    -0.7312    -1.9021	O.2	1	noname	-0.2496
3	O3    -0.5081     5.4764    -0.4368	O.2	1	noname	-0.2950
4	N1     0.4793     3.4665    -0.3026	N.3	1	noname	-0.0743
5	N2     3.4779    -1.8840     0.0167	N.3	1	noname	-0.3194
6	N3     1.7230     5.3938    -0.6570	N.3	1	noname	-0.0833
7	C1     2.5980     0.3885    -0.1595	C.3	1	noname	-0.0271
8	C2     1.3156     1.2223    -0.1252	C.3	1	noname	-0.0381
9	C3     2.2525    -1.0873     0.0494	C.3	1	noname	0.0913
10	C4     1.6611     2.6980    -0.3341	C.3	1	noname	0.0040
11	C5     1.3544    -1.5319    -1.0124	C.2	1	noname	0.1437
12	C6     0.5396     4.7952    -0.4648	C.2	1	noname	-0.0444
13	H1     3.0872     0.5139    -1.1254	H	1	noname	0.0288
14	H2     3.2684     0.7204     0.6332	H	1	noname	0.0288
15	H3     0.6451     0.8904    -0.9180	H	1	noname	0.0280
16	H4     0.8263     1.0968     0.8407	H	1	noname	0.0280
17	H5     1.7632    -1.2127     1.0153	H	1	noname	0.0571
18	H6     2.1504     2.8235    -1.3000	H	1	noname	0.0433
19	H7     2.3316     3.0300     0.4586	H	1	noname	0.0433
20	H8    -0.3773     3.0332    -0.1634	H	1	noname	0.1323
21	H9     3.2471    -2.8698     0.1562	H	1	noname	0.1191
22	H10     3.9366    -1.7664    -0.8890	H	1	noname	0.1191
23	H11     0.0355    -3.0164    -1.4156	H	1	noname	0.2213
24	H12     2.5360     4.8651    -0.6787	H	1	noname	0.1285
25	H13     1.7666     6.3556    -0.7744	H	1	noname	0.1285
@<TRIPOS>BOND
1	1	11	1
2	1	23	1
3	2	11	2
4	3	12	2
5	4	10	1
6	4	12	1
7	4	20	1
8	9	5	1
9	5	21	1
10	5	22	1
11	6	12	1
12	6	24	1
13	6	25	1
14	7	8	1
15	7	9	1
16	7	13	1
17	7	14	1
18	8	10	1
19	8	15	1
20	8	16	1
21	9	11	1
22	9	17	1
23	10	18	1
24	10	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1