@<TRIPOS>MOLECULE
76955839
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.1306     1.5618    -0.5518	O.3	1	noname	-0.2720
2	O2    -5.3122     1.5739    -3.0599	O.3	1	noname	-0.2585
3	O3    -3.7715     1.8984    -5.3013	O.3	1	noname	-0.2655
4	N1     0.0243     2.7448    -0.2301	N.3	1	noname	-0.2991
5	C1    -1.2452     1.9509    -0.2025	C.3	1	noname	0.0347
6	C2    -1.9570     1.9874    -1.5328	C.2	1	noname	-0.0255
7	C3     0.9768     2.3862    -1.3107	C.3	1	noname	0.0026
8	C4     0.3194     2.3909    -2.7156	C.3	1	noname	0.0173
9	C5    -1.1573     2.1719    -2.7421	C.2	1	noname	-0.0411
10	C6    -2.0270     2.4648     1.0504	C.3	1	noname	-0.0452
11	C7    -3.3786     1.7619    -1.6550	C.2	1	noname	0.0392
12	C8    -1.7683     2.1384    -4.0333	C.2	1	noname	-0.0347
13	C9    -0.2936     4.1693    -0.3136	C.3	1	noname	-0.0127
14	C10    -3.9797     1.7517    -2.9368	C.2	1	noname	0.0418
15	C11    -3.1750     1.9293    -4.0906	C.2	1	noname	0.0322
16	C12    -5.9631     2.8355    -3.0274	C.3	1	noname	0.0425
17	C13    -3.7813     0.5653    -5.7903	C.3	1	noname	0.0424
18	H1    -0.9893     0.8958    -0.0364	H	1	noname	0.0516
19	H2     1.3994     1.4016    -1.1105	H	1	noname	0.0434
20	H3     1.8119     3.0867    -1.3190	H	1	noname	0.0434
21	H4     0.5574     3.3247    -3.2250	H	1	noname	0.0329
22	H5     0.8003     1.6593    -3.3649	H	1	noname	0.0329
23	H6    -2.9710     1.9267     1.1354	H	1	noname	0.0250
24	H7    -2.2250     3.5313     0.9428	H	1	noname	0.0250
25	H8    -1.4298     2.2947     1.9462	H	1	noname	0.0250
26	H9    -1.2167     2.2600    -4.8827	H	1	noname	0.0654
27	H10     0.6304     4.7472    -0.3337	H	1	noname	0.0394
28	H11    -0.8856     4.4609     0.5539	H	1	noname	0.0394
29	H12    -0.8625     4.3620    -1.2231	H	1	noname	0.0394
30	H13    -5.0651     1.4262    -0.8137	H	1	noname	0.2183
31	H14    -7.0391     2.6919    -3.1267	H	1	noname	0.0535
32	H15    -5.7486     3.3307    -2.0804	H	1	noname	0.0535
33	H16    -5.6014     3.4522    -3.8501	H	1	noname	0.0535
34	H17    -4.2629     0.5403    -6.7678	H	1	noname	0.0535
35	H18    -4.3316    -0.0717    -5.0978	H	1	noname	0.0535
36	H19    -2.7570     0.2038    -5.8806	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	11	1
2	1	30	1
3	2	14	1
4	2	16	1
5	3	15	1
6	3	17	1
7	4	5	1
8	4	7	1
9	4	13	1
10	5	6	1
11	5	10	1
12	5	18	1
13	6	9	1
14	6	11	2
15	7	8	1
16	7	19	1
17	7	20	1
18	8	9	1
19	8	21	1
20	8	22	1
21	9	12	2
22	10	23	1
23	10	24	1
24	10	25	1
25	11	14	1
26	12	15	1
27	12	26	1
28	13	27	1
29	13	28	1
30	13	29	1
31	14	15	2
32	16	31	1
33	16	32	1
34	16	33	1
35	17	34	1
36	17	35	1
37	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1