@<TRIPOS>MOLECULE
DB02347
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.8921    -2.3875     0.2499	P	1	noname	0.0268
2	O1    -3.8890    -1.8111     1.1146	O.2	1	noname	-0.2231
3	O2    -2.4363    -3.7421     0.8234	O.3	1	noname	-0.1888
4	O3    -3.4903    -2.5993    -1.1533	O.3	1	noname	-0.1888
5	C1    -1.5975    -1.3697     0.1480	C.3	1	noname	0.1613
6	O4    -2.0178    -0.1206    -0.3808	O.3	1	noname	-0.2167
7	C2    -0.9585     0.7121    -0.4641	C.2	1	noname	0.1271
8	N1    -0.1431     0.8357    -1.5196	N.2	1	noname	-0.1425
9	C3    -0.5344     1.5803     0.5268	C.2	1	noname	0.0962
10	O5     0.7584     1.7306    -1.2341	O.3	1	noname	-0.3361
11	C4     0.5743     2.2249     0.0046	C.2	1	noname	0.1088
12	C5    -1.1305     1.7754     1.8452	C.3	1	noname	0.0037
13	C6     1.3853     3.2419     0.6678	C.3	1	noname	0.0788
14	C7    -2.1917     2.8748     1.7675	C.3	1	noname	0.0955
15	C8     1.3514     4.5344    -0.1503	C.3	1	noname	-0.0540
16	C9     2.8290     2.7484     0.7821	C.3	1	noname	-0.0540
17	C10     0.8252     3.5087     2.0664	C.3	1	noname	-0.0540
18	N2    -2.7887     3.0701     3.0877	N.3	1	noname	-0.3191
19	C11    -3.2290     2.4835     0.8175	C.2	1	noname	0.1439
20	O6    -3.4569     3.1927    -0.1863	O.2	1	noname	-0.2495
21	O7    -3.9421     1.3558     1.0231	O.3	1	noname	-0.2139
22	H1    -2.4491    -3.7041     1.7825	H	1	noname	0.2260
23	H2    -3.5658    -3.5398    -1.3304	H	1	noname	0.2260
24	H3    -1.2487    -1.1295     1.1524	H	1	noname	0.0729
25	H4    -0.8975    -1.7512    -0.5953	H	1	noname	0.0729
26	H5    -1.6401     0.8422     2.0849	H	1	noname	0.0340
27	H6    -0.3272     2.1380     2.4867	H	1	noname	0.0340
28	H7    -1.7713     3.8252     1.4388	H	1	noname	0.0575
29	H8     1.3290     5.3906     0.5239	H	1	noname	0.0240
30	H9     2.2403     4.5900    -0.7787	H	1	noname	0.0240
31	H10     0.4609     4.5434    -0.7787	H	1	noname	0.0240
32	H11     3.0991     2.6560     1.8340	H	1	noname	0.0240
33	H12     2.9202     1.7766     0.2968	H	1	noname	0.0240
34	H13     3.4960     3.4609     0.2968	H	1	noname	0.0240
35	H14     0.6256     2.5601     2.5648	H	1	noname	0.0240
36	H15     1.5517     4.0780     2.6462	H	1	noname	0.0240
37	H16    -0.1007     4.0780     1.9845	H	1	noname	0.0240
38	H17    -2.1978     3.1376     3.9041	H	1	noname	0.1191
39	H18    -3.7918     3.1376     3.1834	H	1	noname	0.1191
40	H19    -4.0374     1.2050     1.9664	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	9	12	1
12	10	11	1
13	11	13	1
14	12	14	1
15	13	15	1
16	13	16	1
17	13	17	1
18	14	18	1
19	14	19	1
20	19	20	2
21	19	21	1
22	3	22	1
23	4	23	1
24	5	24	1
25	5	25	1
26	12	26	1
27	12	27	1
28	14	28	1
29	15	29	1
30	15	30	1
31	15	31	1
32	16	32	1
33	16	33	1
34	16	34	1
35	17	35	1
36	17	36	1
37	17	37	1
38	18	38	1
39	18	39	1
40	21	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1