@<TRIPOS>MOLECULE
DB07374
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.1544     0.0379    -3.6273	O.2	1	noname	-0.2548
2	C1    -2.4267    -0.7878    -2.7292	C.2	1	noname	0.1404
3	O2    -2.4437    -0.3981    -1.4367	O.3	1	noname	-0.2025
4	C2    -2.7264    -2.1735    -3.0779	C.3	1	noname	0.0220
5	C3    -2.7530    -1.3360    -0.4164	C.3	1	noname	0.1099
6	C4    -3.9847    -0.8736     0.3391	C.3	1	noname	0.0949
7	C5    -1.7330    -1.2314     0.6881	C.3	1	noname	0.0405
8	O3    -4.5288    -1.9631     1.0694	O.3	1	noname	-0.3889
9	C6    -3.4321     0.1717     1.3161	C.3	1	noname	0.0243
10	N1    -1.9682     0.0912     1.2668	N.3	1	noname	-0.3083
11	C7    -0.3180    -1.4372     0.1318	C.3	1	noname	-0.0097
12	C8     0.7002    -1.3796     1.1683	C.2	1	noname	-0.0653
13	C9     1.0448    -2.5707     1.9050	C.2	1	noname	-0.0471
14	C10     1.3263    -0.1140     1.4432	C.2	1	noname	-0.0471
15	C11     2.0230    -2.4853     2.9431	C.2	1	noname	-0.0296
16	C12     2.3011    -0.0290     2.4850	C.2	1	noname	-0.0296
17	C13     2.6199    -1.2165     3.2029	C.2	1	noname	-0.0003
18	O4     3.5407    -1.1367     4.1868	O.3	1	noname	-0.2774
19	C14     2.8959    -0.8344     5.4153	C.3	1	noname	0.0423
20	H1    -2.8528    -2.7582    -2.1667	H	1	noname	0.0336
21	H2    -3.6449    -2.2103    -3.6636	H	1	noname	0.0336
22	H3    -1.9051    -2.5865    -3.6636	H	1	noname	0.0336
23	H4    -2.8146    -2.2864    -0.9467	H	1	noname	0.0654
24	H5    -4.8073    -0.5376    -0.2922	H	1	noname	0.0641
25	H6    -1.8498    -1.9718     1.4795	H	1	noname	0.0496
26	H7    -4.4434    -1.7922     2.0102	H	1	noname	0.2106
27	H8    -3.6999     1.1585     0.9385	H	1	noname	0.0455
28	H9    -3.7238    -0.1238     2.3240	H	1	noname	0.0455
29	H10    -1.2884     0.7784     1.5597	H	1	noname	0.1227
30	H11    -0.2710    -2.4544    -0.2571	H	1	noname	0.0333
31	H12    -0.1050    -0.5928    -0.5237	H	1	noname	0.0333
32	H13     0.5706    -3.5259     1.6794	H	1	noname	0.0626
33	H14     1.0642     0.7733     0.8669	H	1	noname	0.0626
34	H15     2.3065    -3.3646     3.5215	H	1	noname	0.0650
35	H16     2.7883     0.9159     2.7255	H	1	noname	0.0650
36	H17     2.6292    -1.7611     5.9233	H	1	noname	0.0535
37	H18     3.5697    -0.2550     6.0464	H	1	noname	0.0535
38	H19     1.9937    -0.2550     5.2191	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	11	1
11	9	10	1
12	11	12	1
13	12	13	2
14	12	14	1
15	13	15	1
16	14	16	2
17	15	17	2
18	16	17	1
19	17	18	1
20	18	19	1
21	4	20	1
22	4	21	1
23	4	22	1
24	5	23	1
25	6	24	1
26	7	25	1
27	8	26	1
28	9	27	1
29	9	28	1
30	10	29	1
31	11	30	1
32	11	31	1
33	13	32	1
34	14	33	1
35	15	34	1
36	16	35	1
37	19	36	1
38	19	37	1
39	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1