@<TRIPOS>MOLECULE
118796440
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5531    -0.9110     0.4817	O.3	1	noname	-0.3870
2	O2    -1.7991    -5.2704    -3.2010	O.3	1	noname	-0.2759
3	O3    -3.3840    -3.6763    -4.7678	O.3	1	noname	-0.2762
4	N1     0.9007    -1.9970     1.4036	N.3	1	noname	-0.3091
5	C1     1.6691    -3.0443     2.0744	C.3	1	noname	0.0099
6	C2     0.1791    -2.5724     0.2697	C.3	1	noname	0.0260
7	C3    -0.6250    -1.4763    -0.4324	C.3	1	noname	0.0916
8	C4     2.4242    -2.4422     3.2610	C.3	1	noname	-0.0474
9	C5     0.7181    -4.1335     2.5747	C.3	1	noname	-0.0474
10	C6     2.6690    -3.6535     1.0896	C.3	1	noname	-0.0474
11	C7    -1.3456    -2.0509    -1.5647	C.2	1	noname	-0.0457
12	C8    -1.2276    -3.4066    -1.8479	C.2	1	noname	-0.0120
13	C9    -2.1496    -1.2422    -2.3595	C.2	1	noname	-0.0521
14	C10    -1.9137    -3.9537    -2.9260	C.2	1	noname	0.0254
15	C11    -2.8357    -1.7893    -3.4376	C.2	1	noname	-0.0209
16	C12    -2.7177    -3.1450    -3.7208	C.2	1	noname	0.0226
17	H1     1.5360    -1.2695     1.0694	H	1	noname	0.1228
18	H2    -0.4984    -3.3483     0.6261	H	1	noname	0.0458
19	H3     0.8915    -3.0063    -0.4319	H	1	noname	0.0458
20	H4     0.0525    -0.7004    -0.7888	H	1	noname	0.0665
21	H5     1.2909    -4.9143     3.0749	H	1	noname	0.0249
22	H6     0.0057    -3.6995     3.2764	H	1	noname	0.0249
23	H7     0.1801    -4.5624     1.7294	H	1	noname	0.0249
24	H8     3.2419    -4.4343     1.5897	H	1	noname	0.0249
25	H9     2.1311    -4.0824     0.2442	H	1	noname	0.0249
26	H10     3.3466    -2.8776     0.7331	H	1	noname	0.0249
27	H11     2.9971    -3.2231     3.7612	H	1	noname	0.0249
28	H12     1.7118    -2.0082     3.9627	H	1	noname	0.0249
29	H13     3.1017    -1.6663     2.9046	H	1	noname	0.0249
30	H14    -0.6377    -4.0000    -1.2647	H	1	noname	0.0654
31	H15    -2.2362    -0.2474    -2.1517	H	1	noname	0.0627
32	H16    -2.1622    -1.6086     0.8021	H	1	noname	0.2109
33	H17    -3.4256    -1.1959    -4.0208	H	1	noname	0.0651
34	H18    -1.1996    -5.6894    -2.5488	H	1	noname	0.2183
35	H19    -3.8991    -2.9742    -5.2175	H	1	noname	0.2183
@<TRIPOS>BOND
1	7	1	1
2	1	32	1
3	2	14	1
4	2	34	1
5	3	16	1
6	3	35	1
7	4	5	1
8	4	6	1
9	4	17	1
10	5	8	1
11	5	9	1
12	5	10	1
13	6	7	1
14	6	18	1
15	6	19	1
16	7	11	1
17	7	20	1
18	8	27	1
19	8	28	1
20	8	29	1
21	9	21	1
22	9	22	1
23	9	23	1
24	10	24	1
25	10	25	1
26	10	26	1
27	11	12	2
28	11	13	1
29	12	14	1
30	12	30	1
31	13	15	2
32	13	31	1
33	14	16	2
34	15	16	1
35	15	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1