@<TRIPOS>MOLECULE
71587456
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3401    -1.0534     2.6512	O.3	1	noname	-0.2139
2	O2    -0.3239     0.4252     1.0875	O.2	1	noname	-0.2495
3	O3     2.4968     1.3764    -3.5469	O.3	1	noname	-0.2861
4	N1    -1.8888    -2.5077     1.4476	N.3	1	noname	-0.3191
5	C1    -1.4689    -1.2284    -0.5912	C.3	1	noname	-0.0030
6	C2    -0.8516    -1.8265     0.6745	C.3	1	noname	0.0953
7	C3    -0.4332    -0.5481    -1.3632	C.2	1	noname	-0.0660
8	C4     0.2882    -1.2460    -2.3248	C.2	1	noname	-0.0475
9	C5    -0.1684     0.7975    -1.1365	C.2	1	noname	-0.0475
10	C6    -0.2653    -0.7598     1.4808	C.2	1	noname	0.1438
11	C7     1.2743    -0.5983    -3.0597	C.2	1	noname	-0.0312
12	C8     0.8177     1.4452    -1.8715	C.2	1	noname	-0.0312
13	C9     1.5391     0.7474    -2.8331	C.2	1	noname	-0.0019
14	H1    -1.9067    -2.0247    -1.1932	H	1	noname	0.0337
15	H2    -2.2443    -0.5139    -0.3147	H	1	noname	0.0337
16	H3    -0.0763    -2.5409     0.3980	H	1	noname	0.0575
17	H4     0.0940    -2.2334    -2.4911	H	1	noname	0.0626
18	H5    -0.6978     1.3097    -0.4309	H	1	noname	0.0626
19	H6    -2.2992    -3.2544     0.8832	H	1	noname	0.1191
20	H7    -2.6158    -1.8378     1.7068	H	1	noname	0.1191
21	H8     1.8037    -1.1104    -3.7654	H	1	noname	0.0650
22	H9     1.0119     2.4327    -1.7052	H	1	noname	0.0650
23	H10     1.0796    -0.4969     2.9735	H	1	noname	0.2213
24	H11     2.9038     0.7444    -4.1756	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	10	1
2	1	23	1
3	2	10	2
4	3	13	1
5	3	24	1
6	6	4	1
7	4	19	1
8	4	20	1
9	5	6	1
10	5	7	1
11	5	14	1
12	5	15	1
13	6	10	1
14	6	16	1
15	7	8	2
16	7	9	1
17	8	11	1
18	8	17	1
19	9	12	2
20	9	18	1
21	11	13	2
22	11	21	1
23	12	13	1
24	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1