@<TRIPOS>MOLECULE
76963245
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2079    -5.3719    -3.3185	S.2	1	noname	-0.1170
2	O1     2.0922     3.5826     2.3766	O.3	1	noname	-0.2191
3	O2     2.4368     3.9610     0.1833	O.2	1	noname	-0.2598
4	N1     0.8474    -2.5192    -1.2096	N.2	1	noname	-0.2818
5	N2     0.6569    -3.7304    -1.4772	N.3	1	noname	0.0239
6	N3    -0.0666    -2.7629    -3.3978	N.3	1	noname	-0.1251
7	C1     1.5398    -0.8721     0.2105	C.2	1	noname	-0.0087
8	C2     1.9617     1.8111     0.8031	C.2	1	noname	0.0038
9	C3     2.0697    -0.5074     1.4428	C.2	1	noname	-0.0192
10	C4     1.2209     0.1049    -0.7254	C.2	1	noname	-0.0192
11	C5     2.2806     0.8341     1.7390	C.2	1	noname	0.0012
12	C6     1.4318     1.4464    -0.4291	C.2	1	noname	0.0012
13	C7     1.3334    -2.1847    -0.0794	C.2	1	noname	0.0166
14	C8     2.1726     3.1526     1.0994	C.2	1	noname	0.0844
15	C9     0.1553    -3.8378    -2.6825	C.2	1	noname	-0.0508
16	H1     2.3037    -1.2243     2.1296	H	1	noname	0.0629
17	H2     0.8321    -0.1627    -1.6296	H	1	noname	0.0629
18	H3     2.6694     1.1017     2.6433	H	1	noname	0.0631
19	H4     1.1978     2.1633    -1.1159	H	1	noname	0.0631
20	H5     1.5606    -2.8805     0.5872	H	1	noname	0.0859
21	H6     2.6313     4.3461     2.6714	H	1	noname	0.2216
22	H7     1.5004    -4.2075    -1.4343	H	1	noname	0.1579
23	H8    -0.4364    -3.0174    -4.2577	H	1	noname	0.1261
24	H9    -0.6952    -2.1890    -2.9326	H	1	noname	0.1261
@<TRIPOS>BOND
1	1	15	2
2	2	14	1
3	2	21	1
4	3	14	2
5	4	5	1
6	4	13	2
7	5	15	1
8	5	22	1
9	6	15	1
10	6	23	1
11	6	24	1
12	7	9	2
13	7	10	1
14	7	13	1
15	8	11	2
16	8	12	1
17	8	14	1
18	9	11	1
19	9	16	1
20	10	12	2
21	10	17	1
22	11	18	1
23	12	19	1
24	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1