@<TRIPOS>MOLECULE
DB01241
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -7.1343    -2.8862     2.6155	O.2	1	noname	-0.2538
2	C1    -6.2161    -2.0926     2.3161	C.2	1	noname	0.1378
3	O2    -6.3182    -0.7872     2.6448	O.3	1	noname	-0.2173
4	C2    -5.0332    -2.5775     1.6109	C.3	1	noname	0.0506
5	C3    -4.0713    -1.4128     1.3678	C.3	1	noname	-0.0365
6	C4    -4.3373    -3.6457     2.4568	C.3	1	noname	-0.0505
7	C5    -5.4515    -3.1821     0.2691	C.3	1	noname	-0.0505
8	C6    -2.8317    -1.9209     0.6288	C.3	1	noname	-0.0280
9	C7    -1.8697    -0.7563     0.3857	C.3	1	noname	0.0534
10	O3    -0.7192    -1.2278    -0.3001	O.3	1	noname	-0.2755
11	C8     0.1295    -0.2002    -0.5146	C.2	1	noname	-0.0107
12	C9     1.1033     0.1055     0.4290	C.2	1	noname	-0.0382
13	C10     0.0297     0.5523    -1.6791	C.2	1	noname	-0.0388
14	C11     1.9773     1.1636     0.2082	C.2	1	noname	-0.0605
15	C12     1.2082    -0.6848     1.6521	C.3	1	noname	0.0077
16	C13     0.9036     1.6104    -1.8999	C.2	1	noname	-0.0597
17	C14     1.8774     1.9160    -0.9563	C.2	1	noname	-0.0797
18	C15     0.7987     2.4007    -3.1230	C.3	1	noname	-0.0019
19	H1    -6.3252    -0.6975     3.6005	H	1	noname	0.2213
20	H2    -4.5779    -0.7216     0.6943	H	1	noname	0.0278
21	H3    -3.7360    -1.0720     2.3474	H	1	noname	0.0278
22	H4    -4.4822    -3.4233     3.5140	H	1	noname	0.0241
23	H5    -4.7627    -4.6232     2.2295	H	1	noname	0.0241
24	H6    -3.2713    -3.6516     2.2295	H	1	noname	0.0241
25	H7    -5.4300    -4.2697     0.3381	H	1	noname	0.0241
26	H8    -6.4609    -2.8536     0.0215	H	1	noname	0.0241
27	H9    -4.7616    -2.8536    -0.5082	H	1	noname	0.0241
28	H10    -2.3251    -2.6121     1.3024	H	1	noname	0.0290
29	H11    -3.1670    -2.2618    -0.3507	H	1	noname	0.0290
30	H12    -2.3509    -0.0582    -0.2993	H	1	noname	0.0571
31	H13    -1.5090    -0.4086     1.3538	H	1	noname	0.0571
32	H14    -0.7339     0.3126    -2.4190	H	1	noname	0.0653
33	H15     2.7409     1.4033     0.9481	H	1	noname	0.0626
34	H16     1.1868    -1.7456     1.4022	H	1	noname	0.0280
35	H17     2.1448    -0.4495     2.1576	H	1	noname	0.0280
36	H18     0.3713    -0.4495     2.3097	H	1	noname	0.0280
37	H19     2.5627     2.7458    -1.1295	H	1	noname	0.0625
38	H20     0.7251     1.7333    -3.9817	H	1	noname	0.0279
39	H21    -0.0903     3.0294    -3.0742	H	1	noname	0.0279
40	H22     1.6831     3.0294    -3.2263	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	2
12	11	13	1
13	12	14	1
14	12	15	1
15	13	16	2
16	14	17	2
17	16	18	1
18	16	17	1
19	3	19	1
20	5	20	1
21	5	21	1
22	6	22	1
23	6	23	1
24	6	24	1
25	7	25	1
26	7	26	1
27	7	27	1
28	8	28	1
29	8	29	1
30	9	30	1
31	9	31	1
32	13	32	1
33	14	33	1
34	15	34	1
35	15	35	1
36	15	36	1
37	17	37	1
38	18	38	1
39	18	39	1
40	18	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1