@<TRIPOS>MOLECULE
118796441
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9317    -2.8704    -1.4929	O.3	1	noname	-0.3870
2	O2    -5.1915    -0.1265     1.1438	O.3	1	noname	-0.2759
3	O3    -6.1079    -2.5876     1.9251	O.3	1	noname	-0.2762
4	N1     1.3710    -2.4358     0.1067	N.3	1	noname	-0.3091
5	C1     2.3724    -2.8971     1.0668	C.3	1	noname	0.0099
6	C2     0.0378    -2.5673     0.6920	C.3	1	noname	0.0260
7	C3    -1.0102    -2.0846    -0.3128	C.3	1	noname	0.0916
8	C4     3.7677    -2.7594     0.4543	C.3	1	noname	-0.0474
9	C5     2.1097    -4.3641     1.4126	C.3	1	noname	-0.0474
10	C6     2.2879    -2.0504     2.3384	C.3	1	noname	-0.0474
11	C7    -2.3416    -2.2160     0.2717	C.2	1	noname	-0.0457
12	C8    -3.1443    -1.0925     0.4318	C.2	1	noname	-0.0120
13	C9    -2.8065    -3.4645     0.6681	C.2	1	noname	-0.0521
14	C10    -4.4119    -1.2176     0.9883	C.2	1	noname	0.0254
15	C11    -4.0741    -3.5896     1.2246	C.2	1	noname	-0.0209
16	C12    -4.8768    -2.4661     1.3847	C.2	1	noname	0.0226
17	H1     1.5465    -1.4558    -0.1242	H	1	noname	0.1228
18	H2    -0.1494    -3.6125     0.9383	H	1	noname	0.0458
19	H3    -0.0225    -1.9641     1.5979	H	1	noname	0.0458
20	H4    -0.8231    -1.0394    -0.5591	H	1	noname	0.0665
21	H5     2.8563    -4.7080     2.1284	H	1	noname	0.0249
22	H6     1.1157    -4.4622     1.8490	H	1	noname	0.0249
23	H7     2.1700    -4.9673     0.5067	H	1	noname	0.0249
24	H8     3.0345    -2.3943     3.0542	H	1	noname	0.0249
25	H9     1.2939    -2.1484     2.7748	H	1	noname	0.0249
26	H10     2.4750    -1.0052     2.0921	H	1	noname	0.0249
27	H11     4.5143    -3.1033     1.1702	H	1	noname	0.0249
28	H12     3.8279    -3.3626    -0.4516	H	1	noname	0.0249
29	H13     3.9549    -1.7142     0.2080	H	1	noname	0.0249
30	H14    -2.8032    -0.1763     0.1409	H	1	noname	0.0654
31	H15    -2.2175    -4.2889     0.5507	H	1	noname	0.0627
32	H16    -1.6030    -2.5613    -2.1365	H	1	noname	0.2109
33	H17    -4.4153    -4.5058     1.5155	H	1	noname	0.0651
34	H18    -4.7153     0.6647     0.8157	H	1	noname	0.2183
35	H19    -6.2762    -3.5273     2.1466	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