@<TRIPOS>MOLECULE
76970747
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9993    -2.4273    -0.2381	O.2	1	noname	-0.3049
2	O2     0.9673    -1.6956    -5.0832	O.2	1	noname	-0.3057
3	C1     0.2334     0.3957    -0.6432	C.3	1	noname	-0.0342
4	C2    -0.5354    -0.8296    -1.1456	C.3	1	noname	0.0241
5	C3     0.6087    -1.7856    -1.5420	C.3	1	noname	-0.0038
6	C4     1.3078    -0.2544     0.2274	C.3	1	noname	-0.0494
7	C5     1.7109    -1.5449    -0.5022	C.3	1	noname	-0.0453
8	C6    -0.7022     1.3457     0.1132	C.3	1	noname	-0.0618
9	C7     1.0940    -1.4355    -2.8408	C.2	1	noname	0.0136
10	C8    -1.2965    -1.4118    -0.0441	C.2	1	noname	0.1256
11	C9     0.5431    -2.0016    -3.9479	C.2	1	noname	0.0887
12	C10     2.0841    -0.5564    -2.9660	C.2	1	noname	-0.0530
13	H1     0.7100     0.9452    -1.4612	H	1	noname	0.0307
14	H2    -1.1994    -0.5766    -1.9721	H	1	noname	0.0388
15	H3     0.2904    -2.8273    -1.5830	H	1	noname	0.0360
16	H4     0.8849    -0.5041     1.2005	H	1	noname	0.0270
17	H5     2.1563     0.4063     0.4052	H	1	noname	0.0270
18	H6     1.7287    -2.3727     0.2067	H	1	noname	0.0273
19	H7     2.6670    -1.4545    -1.0178	H	1	noname	0.0273
20	H8    -0.1375     2.2102     0.4623	H	1	noname	0.0233
21	H9    -1.4992     1.6770    -0.5525	H	1	noname	0.0233
22	H10    -1.1351     0.8254     0.9675	H	1	noname	0.0233
23	H11    -1.2549    -0.9901     0.8836	H	1	noname	0.1044
24	H12    -0.2162    -2.6758    -3.8518	H	1	noname	0.1094
25	H13     2.4201    -0.3140    -3.8652	H	1	noname	0.0542
26	H14     2.4851    -0.1443    -2.1601	H	1	noname	0.0542
@<TRIPOS>BOND
1	1	10	2
2	2	11	2
3	3	4	1
4	3	6	1
5	3	8	1
6	3	13	1
7	4	5	1
8	4	10	1
9	4	14	1
10	5	7	1
11	5	9	1
12	5	15	1
13	6	7	1
14	6	16	1
15	6	17	1
16	7	18	1
17	7	19	1
18	8	20	1
19	8	21	1
20	8	22	1
21	9	11	1
22	9	12	2
23	10	23	1
24	11	24	1
25	12	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1