@<TRIPOS>MOLECULE
92215556
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     8.0714    -0.7777    -0.2587	O.3	1	noname	-0.2698
2	O2     7.7630    -4.2820     0.4637	O.3	1	noname	-0.3901
3	O3     5.0444    -4.4499     1.2315	O.3	1	noname	-0.2068
4	N1     4.4668    -3.6756    -2.0557	N.3	1	noname	-0.1272
5	N2     4.6559    -4.3758     0.0159	N.2	1	noname	-0.2118
6	C1     7.2612    -2.9804     0.1615	C.3	1	noname	0.0845
7	C2     8.5051    -2.1153     0.0437	C.3	1	noname	0.0798
8	C3     6.3990    -2.9893    -1.1132	C.3	1	noname	0.0306
9	C4     9.6511     0.6442     0.8492	C.2	1	noname	-0.0189
10	C5     9.1513     0.0260    -0.3235	C.2	1	noname	0.0118
11	C6    10.8301     1.4309     0.7493	C.2	1	noname	-0.0346
12	C7     9.7959     0.1802    -1.5626	C.2	1	noname	-0.0260
13	C8     9.0140     0.4693     2.1025	C.2	1	noname	-0.0367
14	C9    11.4727     1.5847    -0.5002	C.2	1	noname	-0.0590
15	C10     5.1885    -3.7733    -0.9830	C.2	1	noname	-0.0291
16	C11    11.3404     2.0507     1.9151	C.2	1	noname	-0.0456
17	C12    10.9546     0.9562    -1.6503	C.2	1	noname	-0.0472
18	C13     9.5388     1.0877     3.2486	C.2	1	noname	-0.0544
19	C14    10.6924     1.8780     3.1513	C.2	1	noname	-0.0564
20	H1     6.6827    -2.5530     0.9861	H	1	noname	0.0629
21	H2     9.0216    -2.1747     1.0090	H	1	noname	0.0599
22	H3     9.1480    -2.5220    -0.7431	H	1	noname	0.0599
23	H4     6.0996    -1.9490    -1.3600	H	1	noname	0.0371
24	H5     7.0067    -3.3229    -1.9564	H	1	noname	0.0371
25	H6     9.4244    -0.2986    -2.3926	H	1	noname	0.0650
26	H7     8.1722    -0.1055     2.2025	H	1	noname	0.0630
27	H8    12.3165     2.1533    -0.5861	H	1	noname	0.0629
28	H9    12.1805     2.6297     1.8632	H	1	noname	0.0629
29	H10    11.4269     1.0650    -2.5514	H	1	noname	0.0623
30	H11     9.0681     0.9571     4.1496	H	1	noname	0.0622
31	H12     7.0281    -4.9158     0.3454	H	1	noname	0.2105
32	H13    11.0668     2.3363     3.9864	H	1	noname	0.0622
33	H14     4.9118    -3.5022    -2.8770	H	1	noname	0.1255
34	H15     3.5221    -3.6607    -1.9801	H	1	noname	0.1255
35	H16     5.9184    -4.8800     1.2408	H	1	noname	0.2481
@<TRIPOS>BOND
1	1	7	1
2	1	10	1
3	6	2	1
4	2	31	1
5	3	5	1
6	3	35	1
7	4	15	1
8	4	33	1
9	4	34	1
10	5	15	2
11	6	7	1
12	6	8	1
13	6	20	1
14	7	21	1
15	7	22	1
16	8	15	1
17	8	23	1
18	8	24	1
19	9	10	1
20	9	11	1
21	9	13	2
22	10	12	2
23	11	14	1
24	11	16	2
25	12	17	1
26	12	25	1
27	13	18	1
28	13	26	1
29	14	17	2
30	14	27	1
31	16	19	1
32	16	28	1
33	17	29	1
34	18	19	2
35	18	30	1
36	19	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1