@<TRIPOS>MOLECULE
72941658
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3627     3.2881    -1.4586	O.3	1	noname	-0.2140
2	O2     1.1688     1.2226    -1.8540	O.2	1	noname	-0.2496
3	N1    -1.7580     1.6510    -0.2948	N.3	1	noname	-0.3194
4	N2     3.4282    -3.4986     0.7614	N.3	1	noname	-0.3304
5	C1     1.4214    -0.3200     0.2985	C.3	1	noname	-0.0501
6	C2    -0.0695    -0.0807     0.0516	C.3	1	noname	-0.0283
7	C3     1.6852    -1.8230     0.4089	C.3	1	noname	-0.0408
8	C4    -0.3333     1.4223    -0.0589	C.3	1	noname	0.0912
9	C5     3.1761    -2.0623     0.6558	C.3	1	noname	-0.0076
10	C6     0.4382     1.9715    -1.1700	C.2	1	noname	0.1437
11	H1     1.7195     0.1703     1.2252	H	1	noname	0.0268
12	H2     1.9974     0.0900    -0.5311	H	1	noname	0.0268
13	H3    -0.6456    -0.4907     0.8811	H	1	noname	0.0288
14	H4    -0.3676    -0.5710    -0.8752	H	1	noname	0.0288
15	H5     1.1092    -2.2330     1.2385	H	1	noname	0.0279
16	H6     1.3871    -2.3133    -0.5178	H	1	noname	0.0279
17	H7    -0.0353     1.9126     0.8679	H	1	noname	0.0571
18	H8     3.4742    -1.5720     1.5826	H	1	noname	0.0425
19	H9     3.7521    -1.6523    -0.1737	H	1	noname	0.0425
20	H10    -2.2981     1.2665     0.4830	H	1	noname	0.1191
21	H11    -2.0375     1.1913    -1.1637	H	1	noname	0.1191
22	H12     4.4241    -3.6584     0.9263	H	1	noname	0.1184
23	H13     2.8881    -3.8830     1.5391	H	1	noname	0.1184
24	H14     1.1318     3.7477    -1.8557	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	24	1
3	2	10	2
4	8	3	1
5	3	20	1
6	3	21	1
7	4	9	1
8	4	22	1
9	4	23	1
10	5	6	1
11	5	7	1
12	5	11	1
13	5	12	1
14	6	8	1
15	6	13	1
16	6	14	1
17	7	9	1
18	7	15	1
19	7	16	1
20	8	10	1
21	8	17	1
22	9	18	1
23	9	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1