@<TRIPOS>MOLECULE
DB07178
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7103    -1.2453    -0.1711	O.3	1	noname	-0.1979
2	C1     0.1392    -0.2534    -0.5133	C.2	1	noname	0.0186
3	C2    -1.7941    -0.7194     0.4381	C.2	1	noname	0.0036
4	C3     1.1259     0.1545     0.3767	C.2	1	noname	0.0292
5	C4     0.0271     0.3599    -1.7556	C.2	1	noname	-0.0176
6	C5    -2.8138    -1.5525     0.8833	C.2	1	noname	-0.0236
7	C6    -1.8904     0.6553     0.6202	C.2	1	noname	-0.0236
8	O2     1.2348    -0.4412     1.5833	O.3	1	noname	-0.2751
9	C7     2.0006     1.1758     0.0244	C.2	1	noname	-0.0257
10	C8     0.9018     1.3812    -2.1079	C.2	1	noname	-0.0657
11	C9    -3.9298    -1.0110     1.5105	C.2	1	noname	-0.0505
12	C10    -3.0064     1.1968     1.2474	C.2	1	noname	-0.0505
13	C11     1.8885     1.7891    -1.2179	C.2	1	noname	-0.0552
14	C12    -4.0261     0.3637     1.6926	C.2	1	noname	-0.0677
15	C13     2.8072     2.8618    -1.5880	C.3	1	noname	0.0056
16	C14     2.2206     4.2073    -1.1561	C.3	1	noname	-0.0492
17	C15     3.1833     5.3314    -1.5439	C.3	1	noname	-0.0532
18	C16     2.5968     6.6769    -1.1120	C.3	1	noname	-0.0561
19	C17     3.5595     7.8010    -1.4998	C.3	1	noname	-0.0654
20	H1    -0.7466     0.0401    -2.4535	H	1	noname	0.0651
21	H2    -2.7383    -2.6305     0.7405	H	1	noname	0.0650
22	H3    -1.0908     1.3086     0.2711	H	1	noname	0.0650
23	H4     1.2247    -1.3946     1.4715	H	1	noname	0.2183
24	H5     2.7743     1.4956     0.7223	H	1	noname	0.0653
25	H6     0.8139     1.8622    -3.0821	H	1	noname	0.0626
26	H7    -4.7294    -1.6643     1.8597	H	1	noname	0.0623
27	H8    -3.0819     2.2748     1.3902	H	1	noname	0.0623
28	H9    -4.9012     0.7883     2.1845	H	1	noname	0.0622
29	H10     3.7129     2.6952    -1.0050	H	1	noname	0.0316
30	H11     2.8513     2.8563    -2.6771	H	1	noname	0.0316
31	H12     1.3118     4.3561    -1.7393	H	1	noname	0.0270
32	H13     2.1735     4.1950    -0.0672	H	1	noname	0.0270
33	H14     4.0921     5.1826    -0.9607	H	1	noname	0.0266
34	H15     3.2304     5.3437    -2.6328	H	1	noname	0.0266
35	H16     1.6880     6.8257    -1.6952	H	1	noname	0.0264
36	H17     2.5497     6.6646    -0.0231	H	1	noname	0.0264
37	H18     3.9575     8.2658    -0.5978	H	1	noname	0.0230
38	H19     4.3794     7.3902    -2.0889	H	1	noname	0.0230
39	H20     3.0274     8.5480    -2.0889	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	6	11	1
11	7	12	2
12	9	13	2
13	10	13	1
14	11	14	2
15	12	14	1
16	13	15	1
17	15	16	1
18	16	17	1
19	17	18	1
20	18	19	1
21	5	20	1
22	6	21	1
23	7	22	1
24	8	23	1
25	9	24	1
26	10	25	1
27	11	26	1
28	12	27	1
29	14	28	1
30	15	29	1
31	15	30	1
32	16	31	1
33	16	32	1
34	17	33	1
35	17	34	1
36	18	35	1
37	18	36	1
38	19	37	1
39	19	38	1
40	19	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1