@<TRIPOS>MOLECULE
DB01959
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9865     2.4362    -0.1934	O.2	1	noname	-0.1446
2	N1     3.3425     1.5302    -0.5419	N.2	1	noname	-0.0145
3	O2     3.7630     0.7724    -1.4634	O.3	1	noname	-0.1446
4	C1     2.1871     1.2970     0.0183	C.2	1	noname	0.0365
5	C2     1.3735     0.1949    -0.3858	C.2	1	noname	0.0399
6	C3     1.6803     2.1390     1.0681	C.2	1	noname	0.0070
7	C4     0.1003    -0.0760     0.2498	C.2	1	noname	0.0129
8	C5     0.4022     1.9504     1.6913	C.2	1	noname	-0.0312
9	N2    -0.6572    -1.2179    -0.0142	N.3	1	noname	0.0141
10	C6    -0.3812     0.8427     1.2651	C.2	1	noname	-0.0114
11	N3    -1.9369    -1.3451     0.2345	N.2	1	noname	-0.3165
12	C7    -0.2314    -2.3804    -0.5620	C.2	1	noname	-0.0014
13	C8    -2.3848    -2.5581    -0.1535	C.2	1	noname	0.0477
14	C9    -1.3040    -3.2529    -0.6671	C.2	1	noname	0.0409
15	C10     1.1385    -2.6694    -0.9761	C.3	1	noname	0.0308
16	C11    -3.7567    -3.0467    -0.0503	C.3	1	noname	0.0483
17	C12    -1.2954    -4.5456    -1.1779	C.2	1	noname	0.1040
18	O3    -2.3516    -5.2135    -1.2062	O.2	1	noname	-0.2543
19	O4    -0.1463    -5.0798    -1.6435	O.3	1	noname	-0.2051
20	C13    -0.1375    -6.4004    -2.1653	C.3	1	noname	0.0539
21	C14     1.2782    -6.7593    -2.6211	C.3	1	noname	-0.0409
22	H1     1.7293    -0.4485    -1.1906	H	1	noname	0.0667
23	H2     2.3003     2.9673     1.4111	H	1	noname	0.0647
24	H3     0.0377     2.6273     2.4640	H	1	noname	0.0624
25	H4    -1.3603     0.6963     1.7211	H	1	noname	0.0643
26	H5     1.7646    -2.8015    -0.0937	H	1	noname	0.0294
27	H6     1.1531    -3.5821    -1.5719	H	1	noname	0.0294
28	H7     1.5205    -1.8404    -1.5719	H	1	noname	0.0294
29	H8    -4.0297    -3.1440     1.0005	H	1	noname	0.0296
30	H9    -4.4309    -2.3421    -0.5372	H	1	noname	0.0296
31	H10    -3.8337    -4.0189    -0.5372	H	1	noname	0.0296
32	H11    -0.3960    -7.0463    -1.3262	H	1	noname	0.0570
33	H12    -0.7782    -6.3692    -3.0465	H	1	noname	0.0570
34	H13     1.9112    -6.9197    -1.7483	H	1	noname	0.0254
35	H14     1.2474    -7.6696    -3.2198	H	1	noname	0.0254
36	H15     1.6847    -5.9442    -3.2198	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	1
9	7	10	2
10	8	10	1
11	9	11	1
12	9	12	1
13	11	13	2
14	12	14	2
15	12	15	1
16	13	16	1
17	13	14	1
18	14	17	1
19	17	18	2
20	17	19	1
21	19	20	1
22	20	21	1
23	5	22	1
24	6	23	1
25	8	24	1
26	10	25	1
27	15	26	1
28	15	27	1
29	15	28	1
30	16	29	1
31	16	30	1
32	16	31	1
33	20	32	1
34	20	33	1
35	21	34	1
36	21	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1