@<TRIPOS>MOLECULE
DB02783
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.4514    -2.7162    -0.5173	P	1	noname	0.0155
2	O1    -3.3280    -2.8961    -1.6455	O.2	1	noname	-0.1965
3	O2    -1.6669    -1.4011    -0.6813	O.3	1	noname	-0.1511
4	O3    -1.4650    -3.8962    -0.4403	O.3	1	noname	-0.1644
5	O4    -3.2850    -2.6587     0.7763	O.3	1	noname	-0.1644
6	C1    -0.8026    -1.2237     0.4313	C.3	1	noname	0.0894
7	C2    -0.0588     0.0230     0.2758	C.2	1	noname	-0.0038
8	C3     1.3761     0.0248     0.2160	C.2	1	noname	0.0085
9	C4    -0.7405     1.2822     0.1782	C.2	1	noname	-0.0059
10	C5     2.1284     1.2375     0.0636	C.2	1	noname	0.0330
11	C6     2.0908    -1.2447     0.3132	C.3	1	noname	0.0491
12	N1     0.0082     2.4401     0.0314	N.2	1	noname	-0.2528
13	O5     3.4772     1.2207     0.0092	O.3	1	noname	-0.2762
14	C7     1.3982     2.4662    -0.0289	C.2	1	noname	0.0277
15	N2     2.8803    -1.4535    -0.8994	N.3	1	noname	-0.1429
16	C8     2.1055     3.7339    -0.1850	C.3	1	noname	0.0428
17	O6     3.5421    -2.6290    -0.8094	O.3	1	noname	-0.3451
18	C9     4.3090    -2.8319    -1.9871	C.3	1	noname	0.1537
19	C10     5.0236    -4.1013    -1.8899	C.2	1	noname	0.1494
20	O7     6.2725    -4.1209    -1.9398	O.2	1	noname	-0.2456
21	O8     4.3357    -5.2539    -1.7461	O.3	1	noname	-0.2109
22	H1    -1.2890    -4.1067     0.4797	H	1	noname	0.2283
23	H2    -3.4765    -3.5512     1.0735	H	1	noname	0.2283
24	H3    -1.4462    -1.1096     1.3035	H	1	noname	0.0629
25	H4    -0.0799    -2.0386     0.3901	H	1	noname	0.0629
26	H5    -1.8271     1.3591     0.2157	H	1	noname	0.0843
27	H6     2.7981    -1.1448     1.1365	H	1	noname	0.0504
28	H7     1.3350    -2.0298     0.3362	H	1	noname	0.0504
29	H8     3.8333     1.2162     0.9007	H	1	noname	0.2182
30	H9     2.9597    -0.8535    -1.7079	H	1	noname	0.1551
31	H10     2.3350     4.1453     0.7979	H	1	noname	0.0296
32	H11     3.0320     3.5678    -0.7347	H	1	noname	0.0296
33	H12     1.4776     4.4350    -0.7347	H	1	noname	0.0296
34	H13     3.5946    -2.9248    -2.8051	H	1	noname	0.0698
35	H14     5.0577    -2.0399    -2.0048	H	1	noname	0.0698
36	H15     4.2220    -5.4444    -0.8121	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	15	17	1
18	17	18	1
19	18	19	1
20	19	20	2
21	19	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	18	34	1
35	18	35	1
36	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1