@<TRIPOS>MOLECULE
DB00817
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0327    -1.0485     0.1243	O.2	1	noname	-0.2890
2	C1     1.3687     0.0074     0.0413	C.2	1	noname	0.0984
3	C2     2.0364     1.2381    -0.1183	C.2	1	noname	0.1011
4	C3    -0.0406    -0.0486     0.1086	C.2	1	noname	-0.0135
5	C4     3.4243     1.2793    -0.1821	C.2	1	noname	0.1173
6	C5     1.2806     2.4339    -0.2131	C.2	1	noname	-0.0030
7	C6    -0.7434     1.2082     0.0039	C.2	1	noname	0.0019
8	C7    -0.6612    -1.3039     0.2682	C.2	1	noname	-0.0122
9	O2     4.0113     2.3739    -0.3237	O.2	1	noname	-0.2535
10	O3     4.1385     0.1373    -0.0912	O.3	1	noname	-0.2151
11	N1    -0.0860     2.3931    -0.1508	N.3	1	noname	0.0438
12	C8    -2.1399     1.2117     0.0610	C.2	1	noname	-0.0308
13	C9    -2.0691    -1.2502     0.3212	C.2	1	noname	-0.0423
14	C10    -0.8235     3.5909    -0.2477	C.3	1	noname	-0.0301
15	C11    -2.8545    -0.0278     0.2242	C.2	1	noname	-0.0195
16	C12    -1.0295     4.1775     1.1503	C.3	1	noname	-0.0613
17	C13    -4.3158    -0.0499     0.2913	C.2	1	noname	-0.0207
18	C14    -5.0189    -1.3052     0.4597	C.2	1	noname	-0.0125
19	C15    -5.0716     1.1823     0.1909	C.2	1	noname	-0.0125
20	C16    -6.4267    -1.3287     0.5248	C.2	1	noname	0.0012
21	C17    -6.4789     1.1607     0.2558	C.2	1	noname	0.0012
22	N2    -7.0358    -0.0932     0.4172	N.2	1	noname	-0.2529
23	H1     1.7602     3.4049    -0.3366	H	1	noname	0.0635
24	H2    -0.1007    -2.2357     0.3440	H	1	noname	0.0630
25	H3     4.2754    -0.0817     0.8334	H	1	noname	0.2216
26	H4    -2.6626     2.1647    -0.0203	H	1	noname	0.0635
27	H5    -2.5782    -2.2062     0.4438	H	1	noname	0.0629
28	H6    -0.1903     4.2746    -0.8132	H	1	noname	0.0313
29	H7    -1.7975     3.2991    -0.6406	H	1	noname	0.0313
30	H8    -1.1358     3.3677     1.8721	H	1	noname	0.0234
31	H9    -0.1692     4.7914     1.4171	H	1	noname	0.0234
32	H10    -1.9302     4.7914     1.1577	H	1	noname	0.0234
33	H11    -4.4792    -2.2489     0.5388	H	1	noname	0.0645
34	H12    -4.5723     2.1429     0.0642	H	1	noname	0.0645
35	H13    -7.0067    -2.2430     0.6502	H	1	noname	0.0839
36	H14    -7.0967     2.0560     0.1858	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	2
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	7	12	1
12	7	11	1
13	8	13	2
14	11	14	1
15	12	15	2
16	13	15	1
17	14	16	1
18	15	17	1
19	17	18	2
20	17	19	1
21	18	20	1
22	19	21	2
23	20	22	2
24	21	22	1
25	6	23	1
26	8	24	1
27	10	25	1
28	12	26	1
29	13	27	1
30	14	28	1
31	14	29	1
32	16	30	1
33	16	31	1
34	16	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1