@<TRIPOS>MOLECULE
72710717
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.5654     4.2029    -1.9642	O.3	1	noname	-0.2188
2	O2     5.4388     3.2979    -0.0959	O.2	1	noname	-0.2558
3	N1     2.0653    -0.2292     1.0035	N.3	1	noname	-0.0373
4	N2     0.9494     1.6829     1.1156	N.2	1	noname	-0.2280
5	C1     3.3916     1.8499     0.6630	C.3	1	noname	0.0127
6	C2     2.1575     1.1143     0.9227	C.2	1	noname	-0.0382
7	C3     0.7807    -0.5242     1.2315	C.2	1	noname	-0.0571
8	C4     0.0712     0.6912     1.3025	C.2	1	noname	0.0093
9	C5     3.2361     2.6704    -0.6190	C.3	1	noname	0.0403
10	C6     0.1226    -1.7837     1.2715	C.2	1	noname	-0.0338
11	C7    -1.3449     0.7307     1.4211	C.2	1	noname	-0.0109
12	C8    -1.3102    -1.7694     1.3696	C.2	1	noname	-0.0475
13	C9    -2.0339    -0.5293     1.4450	C.2	1	noname	-0.0440
14	C10     4.4703     3.4060    -0.8787	C.2	1	noname	0.1350
15	H1     3.5993     2.5178     1.4990	H	1	noname	0.0351
16	H2     4.2161     1.1465     0.5464	H	1	noname	0.0351
17	H3     2.7943    -0.8627     0.9132	H	1	noname	0.1540
18	H4     2.4116     3.3738    -0.5024	H	1	noname	0.0377
19	H5     3.0285     2.0025    -1.4549	H	1	noname	0.0377
20	H6     0.6450    -2.6590     1.2323	H	1	noname	0.0643
21	H7    -1.8494     1.6148     1.4865	H	1	noname	0.0645
22	H8    -1.8217    -2.6517     1.3861	H	1	noname	0.0623
23	H9    -3.0513    -0.5445     1.5164	H	1	noname	0.0623
24	H10     5.1404     4.9961    -1.9409	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	14	1
2	1	24	1
3	2	14	2
4	3	6	1
5	3	7	1
6	3	17	1
7	4	6	2
8	4	8	1
9	5	6	1
10	5	9	1
11	5	15	1
12	5	16	1
13	7	8	1
14	7	10	2
15	8	11	2
16	9	14	1
17	9	18	1
18	9	19	1
19	10	12	1
20	10	20	1
21	11	13	1
22	11	21	1
23	12	13	2
24	12	22	1
25	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1