@<TRIPOS>MOLECULE
71777427
40 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6572    -0.8496    -1.2304	O.3	1	noname	-0.3870
2	O2     1.3058     0.5638    -1.8624	O.3	1	noname	-0.3823
3	O3     3.6542    -2.4078     1.1144	O.3	1	noname	-0.3878
4	O4    -0.0148     0.1181     0.6109	O.2	1	noname	-0.2828
5	O5     2.3049    -4.6056    -0.0150	O.3	1	noname	-0.3934
6	O6    -3.3051    -4.2271    -2.1168	O.3	1	noname	-0.2139
7	O7    -2.2308    -2.4743    -3.0366	O.2	1	noname	-0.2495
8	N1    -2.2222    -1.0735    -0.7690	N.3	1	noname	-0.2981
9	C1    -3.2598    -2.0855    -0.9607	C.3	1	noname	0.0964
10	C2    -4.5976    -1.3977    -1.2404	C.3	1	noname	-0.0220
11	C3     2.5279    -0.8804    -0.3702	C.3	1	noname	0.1152
12	C4     1.2534    -0.6884    -1.1947	C.3	1	noname	0.1420
13	C5     2.4714    -2.2296     0.3492	C.3	1	noname	0.1060
14	C6    -0.9439    -1.7307    -0.5017	C.3	1	noname	0.0581
15	C7     0.0922    -0.7200    -0.3103	C.2	1	noname	0.1651
16	C8    -4.9693    -0.5043    -0.0553	C.3	1	noname	-0.0608
17	C9    -5.6834    -2.4568    -1.4411	C.3	1	noname	-0.0608
18	C10     2.3573    -3.3534    -0.6827	C.3	1	noname	0.0718
19	C11    -2.9050    -2.9380    -2.0916	C.2	1	noname	0.1439
20	H1    -3.3451    -2.6935    -0.0601	H	1	noname	0.0576
21	H2    -4.5122    -0.7897    -2.1411	H	1	noname	0.0318
22	H3     2.6092    -0.0798     0.3649	H	1	noname	0.0660
23	H4     1.1721    -1.4890    -1.9298	H	1	noname	0.0712
24	H5     1.6045    -2.2532     1.0095	H	1	noname	0.0653
25	H6    -1.0292    -2.3387     0.3989	H	1	noname	0.0511
26	H7    -0.6790    -2.3671    -1.3460	H	1	noname	0.0511
27	H8    -2.1422    -0.5034    -1.6134	H	1	noname	0.1234
28	H9    -5.9224    -0.0144    -0.2546	H	1	noname	0.0234
29	H10    -5.0547    -1.1123     0.8453	H	1	noname	0.0234
30	H11    -4.1958     0.2502     0.0876	H	1	noname	0.0234
31	H12    -6.6364    -1.9668    -1.6403	H	1	noname	0.0234
32	H13    -5.7687    -3.0648    -0.5405	H	1	noname	0.0234
33	H14    -5.4185    -3.0933    -2.2854	H	1	noname	0.0234
34	H15     1.4494    -3.2166    -1.2701	H	1	noname	0.0591
35	H16     3.2242    -3.3298    -1.3430	H	1	noname	0.0591
36	H17     3.6934     0.0145    -1.6912	H	1	noname	0.2107
37	H18     0.4895     0.6868    -2.3905	H	1	noname	0.2111
38	H19     3.7273    -1.6880     1.7753	H	1	noname	0.2106
39	H20     2.2318    -5.3254    -0.6760	H	1	noname	0.2101
40	H21    -2.7613    -4.9001    -2.5770	H	1	noname	0.2213
@<TRIPOS>BOND
1	11	1	1
2	1	36	1
3	12	2	1
4	2	37	1
5	13	3	1
6	3	38	1
7	4	15	2
8	5	18	1
9	5	39	1
10	6	19	1
11	6	40	1
12	7	19	2
13	9	8	1
14	8	14	1
15	8	27	1
16	9	10	1
17	9	19	1
18	9	20	1
19	10	16	1
20	10	17	1
21	10	21	1
22	11	12	1
23	11	13	1
24	11	22	1
25	12	15	1
26	12	23	1
27	13	18	1
28	13	24	1
29	14	15	1
30	14	25	1
31	14	26	1
32	16	28	1
33	16	29	1
34	16	30	1
35	17	31	1
36	17	32	1
37	17	33	1
38	18	34	1
39	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1