@<TRIPOS>MOLECULE
92759183
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4261     4.3911    -0.6480	O.3	1	noname	-0.2140
2	O2     3.0215    -2.0170     1.8062	O.3	1	noname	-0.2140
3	O3     2.7859     0.2056     1.5290	O.2	1	noname	-0.2496
4	O4    -1.2659     3.5051     1.0671	O.2	1	noname	-0.2496
5	N1    -1.8807     0.9967     0.4082	N.3	1	noname	-0.3041
6	N2     1.4887    -0.0501    -0.7854	N.3	1	noname	-0.3041
7	C1    -0.6676     1.0346    -0.4071	C.3	1	noname	0.0085
8	C2     0.2757    -0.0879     0.0298	C.3	1	noname	0.0085
9	C3    -2.7821     2.0693    -0.0093	C.3	1	noname	0.0935
10	C4     2.3902    -1.1227    -0.3679	C.3	1	noname	0.0935
11	C5    -4.0515     2.0297     0.8438	C.3	1	noname	-0.0310
12	C6     3.6596    -1.0830    -1.2211	C.3	1	noname	-0.0310
13	C7    -2.1186     3.3581     0.1650	C.2	1	noname	0.1438
14	C8     2.7425    -0.9429     1.0375	C.2	1	noname	0.1438
15	C9     3.2904    -1.2715    -2.6938	C.3	1	noname	-0.0634
16	C10    -4.7468     0.6791     0.6611	C.3	1	noname	-0.0634
17	H1    -0.9307     0.9004    -1.4563	H	1	noname	0.0441
18	H2    -0.1723     1.9968    -0.2769	H	1	noname	0.0441
19	H3    -0.2196    -1.0501    -0.1003	H	1	noname	0.0441
20	H4     0.5388     0.0463     1.0791	H	1	noname	0.0441
21	H5    -3.0452     1.9351    -1.0586	H	1	noname	0.0573
22	H6     1.8948    -2.0849    -0.4981	H	1	noname	0.0573
23	H7    -1.6340     1.1226     1.3919	H	1	noname	0.1230
24	H8     1.9532     0.8521    -0.6633	H	1	noname	0.1230
25	H9    -4.7236     2.8294     0.5326	H	1	noname	0.0285
26	H10     4.1550    -0.1209    -1.0909	H	1	noname	0.0285
27	H11     4.3317    -1.8828    -0.9098	H	1	noname	0.0285
28	H12    -3.7885     2.1639     1.8930	H	1	noname	0.0285
29	H13    -5.6512     0.6509     1.2689	H	1	noname	0.0231
30	H14     4.1948    -1.2432    -3.3016	H	1	noname	0.0231
31	H15     2.6183    -0.4717    -3.0051	H	1	noname	0.0231
32	H16     2.7950    -2.2336    -2.8240	H	1	noname	0.0231
33	H17    -5.0099     0.5449    -0.3881	H	1	noname	0.0231
34	H18    -4.0748    -0.1206     0.9724	H	1	noname	0.0231
35	H19    -1.7501     5.0697    -0.8550	H	1	noname	0.2213
36	H20     2.8302    -1.9949     2.7671	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	13	1
2	1	35	1
3	2	14	1
4	2	36	1
5	3	14	2
6	4	13	2
7	5	7	1
8	9	5	1
9	5	23	1
10	6	8	1
11	10	6	1
12	6	24	1
13	7	8	1
14	7	17	1
15	7	18	1
16	8	19	1
17	8	20	1
18	9	11	1
19	9	13	1
20	9	21	1
21	10	12	1
22	10	14	1
23	10	22	1
24	11	16	1
25	11	25	1
26	11	28	1
27	12	15	1
28	12	26	1
29	12	27	1
30	15	30	1
31	15	31	1
32	15	32	1
33	16	29	1
34	16	33	1
35	16	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1