@<TRIPOS>MOLECULE
101318324
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8244    -5.4463    -1.3575	O.3	1	noname	-0.3802
2	O2     2.4948    -1.1947    -1.0800	O.3	1	noname	-0.2596
3	O3    -1.7120    -1.2233    -0.0919	O.2	1	noname	-0.2935
4	O4     5.2605    -2.3386     0.9969	O.3	1	noname	-0.2113
5	O5     4.1653    -3.1444    -0.7986	O.2	1	noname	-0.2461
6	N1    -0.1808    -2.6649    -0.1274	N.3	1	noname	-0.0740
7	C1     0.9726    -3.4724    -0.2696	C.3	1	noname	0.0291
8	C2     0.6671    -4.6360    -1.2148	C.3	1	noname	0.0673
9	C3     0.2218    -0.2005    -0.8877	C.2	1	noname	0.0153
10	C4    -0.4990    -1.3585    -0.3762	C.2	1	noname	0.0221
11	C5     1.6163    -0.1500    -1.2129	C.2	1	noname	0.0377
12	C6    -0.5123     1.0192    -1.0845	C.2	1	noname	-0.0112
13	C7     2.1771     1.0281    -1.7702	C.2	1	noname	-0.0168
14	C8     0.2567    -4.0875    -2.5829	C.3	1	noname	-0.0374
15	C9     0.0770     2.1965    -1.5858	C.2	1	noname	-0.0584
16	C10     1.4306     2.2061    -1.9285	C.2	1	noname	-0.0374
17	C11     2.2053    -5.9554    -0.0878	C.3	1	noname	0.0360
18	C12     3.4292    -1.0684     0.0181	C.3	1	noname	0.1390
19	C13     4.3033    -2.2373     0.0503	C.2	1	noname	0.1487
20	H1     1.2649    -3.8632     0.7051	H	1	noname	0.0459
21	H2     1.7863    -2.8746    -0.6803	H	1	noname	0.0459
22	H3    -0.1466    -5.2338    -0.8041	H	1	noname	0.0613
23	H4    -0.9310    -3.1605     0.2366	H	1	noname	0.1314
24	H5    -1.5082     1.0858    -0.8710	H	1	noname	0.0631
25	H6     3.1727     1.0523    -2.0403	H	1	noname	0.0650
26	H7    -0.6317    -3.4655    -2.4734	H	1	noname	0.0257
27	H8     0.0391    -4.9165    -3.2563	H	1	noname	0.0257
28	H9    -0.4766     3.0584    -1.7064	H	1	noname	0.0622
29	H10     1.8842     3.0508    -2.2855	H	1	noname	0.0623
30	H11     3.0937    -6.5774    -0.1973	H	1	noname	0.0529
31	H12     1.3916    -6.5532     0.3229	H	1	noname	0.0529
32	H13     2.4229    -5.1264     0.5856	H	1	noname	0.0529
33	H14     2.8795    -0.9998     0.9569	H	1	noname	0.0682
34	H15     4.0300    -0.1691    -0.1177	H	1	noname	0.0682
35	H16     5.5409    -3.2211     1.3178	H	1	noname	0.2213
36	H17     1.0704    -3.4897    -2.9936	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	8	1
2	1	17	1
3	2	11	1
4	2	18	1
5	3	10	2
6	4	19	1
7	4	35	1
8	5	19	2
9	6	7	1
10	6	10	1
11	6	23	1
12	7	8	1
13	7	20	1
14	7	21	1
15	8	14	1
16	8	22	1
17	9	10	1
18	9	11	1
19	9	12	2
20	11	13	2
21	12	15	1
22	12	24	1
23	13	16	1
24	13	25	1
25	14	26	1
26	14	27	1
27	14	36	1
28	15	16	2
29	15	28	1
30	16	29	1
31	17	30	1
32	17	31	1
33	17	32	1
34	18	19	1
35	18	33	1
36	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1