@<TRIPOS>MOLECULE
109374220
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4025    -0.8290     1.9408	O.3	1	noname	-0.2691
2	O2     0.4892     2.1457     2.0886	O.3	1	noname	-0.3914
3	O3     2.3402    -0.6991    -3.5385	O.3	1	noname	-0.1949
4	O4    -1.1880    -1.3281    -0.5027	O.3	1	noname	-0.2082
5	O5    -0.8280     0.2500    -1.8662	O.2	1	noname	-0.2440
6	N1     1.3188    -0.6810    -2.7551	N.2	1	noname	-0.1658
7	C1     1.8700    -2.2846     0.6623	C.2	1	noname	-0.0020
8	C2     0.6777    -2.1567     1.4959	C.3	1	noname	0.0791
9	C3     2.0266    -1.7245    -0.6593	C.2	1	noname	-0.0101
10	C4    -0.8289    -0.5770     2.5308	C.2	1	noname	0.0114
11	C5    -0.9979     0.6549     3.2317	C.2	1	noname	-0.0136
12	C6     2.8425    -3.0340     1.3663	C.2	1	noname	-0.0361
13	C7     3.3462    -1.9599    -1.1308	C.2	1	noname	-0.0160
14	C8     4.0683    -3.2883     0.7589	C.2	1	noname	-0.0355
15	C9    -1.9549    -1.4462     2.4350	C.2	1	noname	-0.0272
16	C10     1.0654    -1.0461    -1.5223	C.2	1	noname	0.1107
17	C11     4.3095    -2.7768    -0.5016	C.2	1	noname	-0.0474
18	C12    -2.2483     0.9601     3.8251	C.2	1	noname	-0.0401
19	C13     0.0976     1.6465     3.3620	C.3	1	noname	0.0708
20	C14    -3.1880    -1.1291     3.0048	C.2	1	noname	-0.0512
21	C15    -3.3337     0.0714     3.7085	C.2	1	noname	-0.0692
22	C16    -0.2777    -0.7091    -1.2614	C.2	1	noname	0.1340
23	C17     2.2850    -1.8150    -4.4283	C.3	1	noname	0.0662
24	H1    -0.1861    -2.5456     0.9566	H	1	noname	0.0623
25	H2     0.8206    -2.7244     2.4154	H	1	noname	0.0623
26	H3     2.7286    -3.4133     2.3149	H	1	noname	0.0626
27	H4     3.6889    -1.5207    -1.9700	H	1	noname	0.0629
28	H5     4.7754    -3.8501     1.2415	H	1	noname	0.0622
29	H6    -1.9021    -2.3339     1.9362	H	1	noname	0.0650
30	H7     5.2028    -2.9779    -0.9717	H	1	noname	0.0622
31	H8    -2.3952     1.8320     4.3408	H	1	noname	0.0627
32	H9    -0.2337     2.4734     3.9902	H	1	noname	0.0615
33	H10     0.9811     1.1491     3.7619	H	1	noname	0.0615
34	H11    -3.9725    -1.7770     2.8978	H	1	noname	0.0623
35	H12    -4.2372     0.2980     4.1285	H	1	noname	0.0622
36	H13     1.2124     2.7974     2.2015	H	1	noname	0.2105
37	H14    -2.0813    -0.9171    -0.4025	H	1	noname	0.2217
38	H15     3.1600    -1.8052    -5.0782	H	1	noname	0.0558
39	H16     1.3814    -1.7518    -5.0346	H	1	noname	0.0558
40	H17     2.2714    -2.7396    -3.8512	H	1	noname	0.0558
@<TRIPOS>BOND
1	1	8	1
2	1	10	1
3	2	19	1
4	2	36	1
5	3	6	1
6	3	23	1
7	4	22	1
8	4	37	1
9	5	22	2
10	6	16	2
11	7	8	1
12	7	9	1
13	7	12	2
14	8	24	1
15	8	25	1
16	9	13	2
17	9	16	1
18	10	11	1
19	10	15	2
20	11	18	2
21	11	19	1
22	12	14	1
23	12	26	1
24	13	17	1
25	13	27	1
26	14	17	2
27	14	28	1
28	15	20	1
29	15	29	1
30	16	22	1
31	17	30	1
32	18	21	1
33	18	31	1
34	19	32	1
35	19	33	1
36	20	21	2
37	20	34	1
38	21	35	1
39	23	38	1
40	23	39	1
41	23	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1