@<TRIPOS>MOLECULE
DB03183
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0361     1.4450    -0.2096	O.2	1	noname	-0.2543
2	C1     2.8550     1.7542     0.0588	C.2	1	noname	0.1040
3	O2     2.5391     3.0376     0.3337	O.3	1	noname	-0.2051
4	C2     1.8670     0.7766     0.0743	C.2	1	noname	0.0409
5	C3     3.2818     4.0938    -0.2572	C.3	1	noname	0.0539
6	C4     0.5211     0.9446     0.3490	C.2	1	noname	0.0477
7	C5     2.0166    -0.5753    -0.1817	C.2	1	noname	-0.0014
8	C6     2.7231     5.4372     0.2163	C.3	1	noname	-0.0409
9	N1    -0.0470    -0.2619     0.2489	N.2	1	noname	-0.3166
10	C7    -0.1495     2.1976     0.6837	C.3	1	noname	0.0483
11	N2     0.8211    -1.1678    -0.0632	N.3	1	noname	0.0140
12	C8     3.2685    -1.2441    -0.5240	C.3	1	noname	0.0308
13	C9     0.5688    -2.4722    -0.2376	C.2	1	noname	-0.0476
14	C10    -0.7248    -2.9567    -0.0828	C.2	1	noname	-0.0470
15	C11     1.6007    -3.3409    -0.5734	C.2	1	noname	-0.0470
16	C12    -0.9865    -4.3098    -0.2638	C.2	1	noname	-0.0660
17	C13     1.3390    -4.6940    -0.7544	C.2	1	noname	-0.0660
18	C14     0.0454    -5.1784    -0.5996	C.2	1	noname	-0.0542
19	N3    -0.2069    -6.4828    -0.7740	N.3	1	noname	-0.1598
20	H1     4.2939     3.9922     0.1343	H	1	noname	0.0570
21	H2     3.1013     4.0120    -1.3291	H	1	noname	0.0570
22	H3     2.7126     5.4625     1.3059	H	1	noname	0.0254
23	H4     3.3511     6.2448    -0.1599	H	1	noname	0.0254
24	H5     1.7076     5.5613    -0.1599	H	1	noname	0.0254
25	H6    -0.2052     2.3018     1.7672	H	1	noname	0.0296
26	H7     0.4128     3.0332     0.2668	H	1	noname	0.0296
27	H8    -1.1566     2.1934     0.2668	H	1	noname	0.0296
28	H9     3.7925    -1.5240     0.3899	H	1	noname	0.0294
29	H10     3.0545    -2.1387    -1.1086	H	1	noname	0.0294
30	H11     3.8932    -0.5687    -1.1086	H	1	noname	0.0294
31	H12    -1.5340    -2.2755     0.1805	H	1	noname	0.0643
32	H13     2.6151    -2.9610    -0.6948	H	1	noname	0.0643
33	H14    -2.0010    -4.6897    -0.1424	H	1	noname	0.0639
34	H15     2.1482    -5.3751    -1.0176	H	1	noname	0.0639
35	H16    -1.1608    -6.8083    -0.8398	H	1	noname	0.1242
36	H17     0.5568    -7.1405    -0.8398	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	7	12	1
12	9	11	1
13	11	13	1
14	13	14	2
15	13	15	1
16	14	16	1
17	15	17	2
18	16	18	2
19	17	18	1
20	18	19	1
21	5	20	1
22	5	21	1
23	8	22	1
24	8	23	1
25	8	24	1
26	10	25	1
27	10	26	1
28	10	27	1
29	12	28	1
30	12	29	1
31	12	30	1
32	14	31	1
33	15	32	1
34	16	33	1
35	17	34	1
36	19	35	1
37	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1