@<TRIPOS>MOLECULE
DB04467
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.2872    -2.7739    -0.5888	P	1	noname	0.0155
2	O1    -3.1849    -2.9437    -1.7019	O.2	1	noname	-0.1965
3	O2    -1.5541    -1.4261    -0.7215	O.3	1	noname	-0.1511
4	O3    -1.2580    -3.9194    -0.5801	O.3	1	noname	-0.1644
5	O4    -3.0896    -2.7947     0.7255	O.3	1	noname	-0.1644
6	C1    -0.6689    -1.2587     0.3762	C.3	1	noname	0.0894
7	C2     0.0261     0.0190     0.2504	C.2	1	noname	-0.0044
8	C3     1.4582     0.0751     0.1567	C.2	1	noname	0.0076
9	C4    -0.7019     1.2554     0.2169	C.2	1	noname	-0.0060
10	C5     2.1630     1.3192     0.0325	C.2	1	noname	0.0324
11	C6     2.2195    -1.1703     0.1887	C.3	1	noname	0.0244
12	N1     0.0015     2.4444     0.0963	N.2	1	noname	-0.2528
13	O5     3.5098     1.3533    -0.0545	O.3	1	noname	-0.2763
14	C7     1.3877     2.5232     0.0040	C.2	1	noname	0.0275
15	N2     2.9853    -1.3053    -1.0493	N.3	1	noname	-0.3014
16	C8     2.0456     3.8206    -0.1207	C.3	1	noname	0.0427
17	C9     3.7476    -2.5524    -1.0173	C.3	1	noname	0.0911
18	C10     4.5124    -2.6872    -2.2536	C.2	1	noname	0.1437
19	C11     2.7861    -3.7346    -0.8809	C.3	1	noname	-0.0401
20	O6     5.7592    -2.7664    -2.2118	O.2	1	noname	-0.2496
21	O7     3.8730    -2.7263    -3.4419	O.3	1	noname	-0.2140
22	H1    -1.0475    -4.1536     0.3268	H	1	noname	0.2283
23	H2    -3.2499    -3.7040     0.9882	H	1	noname	0.2283
24	H3    -1.2941    -1.2004     1.2671	H	1	noname	0.0629
25	H4     0.0809    -2.0448     0.2870	H	1	noname	0.0629
26	H5    -1.7893     1.2914     0.2830	H	1	noname	0.0843
27	H6     2.9433    -1.0753     0.9982	H	1	noname	0.0480
28	H7     1.4928    -1.9826     0.1999	H	1	noname	0.0480
29	H8     3.8873     1.3629     0.8281	H	1	noname	0.2182
30	H9     2.9873    -0.6400    -1.8092	H	1	noname	0.1233
31	H10     2.2490     4.2218     0.8722	H	1	noname	0.0296
32	H11     2.9832     3.7019    -0.6637	H	1	noname	0.0296
33	H12     1.3957     4.5068    -0.6637	H	1	noname	0.0296
34	H13     4.4515    -2.5010    -0.1866	H	1	noname	0.0570
35	H14     2.6155    -3.9443     0.1751	H	1	noname	0.0252
36	H15     1.8384    -3.4893    -1.3602	H	1	noname	0.0252
37	H16     3.2192    -4.6124    -1.3602	H	1	noname	0.0252
38	H17     3.7338    -3.6403    -3.7005	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	8	11	1
11	9	12	2
12	10	13	1
13	10	14	2
14	11	15	1
15	12	14	1
16	14	16	1
17	17	15	1
18	17	18	1
19	17	19	1
20	18	20	2
21	18	21	1
22	4	22	1
23	5	23	1
24	6	24	1
25	6	25	1
26	9	26	1
27	11	27	1
28	11	28	1
29	13	29	1
30	15	30	1
31	16	31	1
32	16	32	1
33	16	33	1
34	17	34	1
35	19	35	1
36	19	36	1
37	19	37	1
38	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1