@<TRIPOS>MOLECULE
71748804
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1340    -3.0796     0.1854	O.3	1	noname	-0.3870
2	O2    -5.6836    -2.0001    -0.6291	O.3	1	noname	-0.2755
3	O3    -5.9949    -2.2891     2.0778	O.3	1	noname	-0.2735
4	O4    -3.1602    -3.5915     4.2419	O.3	1	noname	-0.3914
5	N1     0.3637    -1.6504    -2.2146	N.3	1	noname	-0.3091
6	C1     0.2618    -1.5037    -3.6656	C.3	1	noname	0.0099
7	C2    -0.9766    -1.7510    -1.6395	C.3	1	noname	0.0260
8	C3    -0.8699    -1.9045    -0.1210	C.3	1	noname	0.0916
9	C4     1.6645    -1.3985    -4.2674	C.3	1	noname	-0.0474
10	C5    -0.4548    -2.7217    -4.2522	C.3	1	noname	-0.0474
11	C6    -0.5312    -0.2376    -3.9957	C.3	1	noname	-0.0474
12	C7    -2.2085    -2.0050     0.4533	C.2	1	noname	-0.0424
13	C8    -2.3664    -2.1516     1.8265	C.2	1	noname	-0.0401
14	C9    -3.3249    -1.9540    -0.3732	C.2	1	noname	-0.0109
15	C10    -3.6408    -2.2472     2.3732	C.2	1	noname	-0.0040
16	C11    -4.5993    -2.0496     0.1736	C.2	1	noname	0.0289
17	C12    -4.7572    -2.1963     1.5468	C.2	1	noname	0.0342
18	C13    -3.8066    -2.4013     3.8156	C.3	1	noname	0.0709
19	H1    -1.5415    -0.8490    -1.8747	H	1	noname	0.0458
20	H2    -1.4871    -2.6187    -2.0574	H	1	noname	0.0458
21	H3     0.8424    -0.8368    -1.8227	H	1	noname	0.1228
22	H4    -0.3594    -1.0368     0.2969	H	1	noname	0.0665
23	H5     1.5884    -1.2891    -5.3492	H	1	noname	0.0249
24	H6    -0.6072    -0.1282    -5.0776	H	1	noname	0.0249
25	H7    -1.5305    -0.3126    -3.5670	H	1	noname	0.0249
26	H8    -0.0207     0.6301    -3.5778	H	1	noname	0.0249
27	H9    -0.5308    -2.6123    -5.3340	H	1	noname	0.0249
28	H10    -1.4541    -2.7967    -3.8235	H	1	noname	0.0249
29	H11     0.1101    -3.6237    -4.0170	H	1	noname	0.0249
30	H12     2.2294    -2.3005    -4.0322	H	1	noname	0.0249
31	H13     2.1750    -0.5308    -3.8495	H	1	noname	0.0249
32	H14    -1.5471    -2.1890     2.4330	H	1	noname	0.0631
33	H15    -3.2090    -1.8464    -1.3808	H	1	noname	0.0654
34	H16    -0.5929    -3.8598    -0.1903	H	1	noname	0.2109
35	H17    -4.8684    -2.4586     4.0551	H	1	noname	0.0615
36	H18    -3.3649    -1.5452     4.3256	H	1	noname	0.0615
37	H19    -5.3963    -1.8951    -1.5601	H	1	noname	0.2183
38	H20    -6.6623    -2.2358     1.3621	H	1	noname	0.2183
39	H21    -3.2715    -3.6949     5.2101	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	8	1
2	1	34	1
3	2	16	1
4	2	37	1
5	3	17	1
6	3	38	1
7	4	18	1
8	4	39	1
9	5	6	1
10	5	7	1
11	5	21	1
12	6	9	1
13	6	10	1
14	6	11	1
15	7	8	1
16	7	19	1
17	7	20	1
18	8	12	1
19	8	22	1
20	9	23	1
21	9	30	1
22	9	31	1
23	10	27	1
24	10	28	1
25	10	29	1
26	11	24	1
27	11	25	1
28	11	26	1
29	12	13	2
30	12	14	1
31	13	15	1
32	13	32	1
33	14	16	2
34	14	33	1
35	15	17	2
36	15	18	1
37	16	17	1
38	18	35	1
39	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1