@MOLECULE bis[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl] dihydrogen diphosphate 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 P -3.0570 -1.3301 -0.4221 P.3 1 UNL11111111111 0.3571 2 P -3.1064 1.5958 0.4170 P.3 1 UNL11111111111 0.3544 3 O -1.5087 -1.2863 -0.7835 O.3 1 UNL11111111111 -0.1780 4 O -1.5488 1.7583 0.0764 O.3 1 UNL11111111111 -0.2857 5 O -3.2638 0.0183 0.4046 O.3 1 UNL11111111111 -0.0938 6 O 2.8332 -2.3556 1.7357 O.3 1 UNL11111111111 -0.4477 7 O 3.5603 1.1399 1.2001 O.3 1 UNL11111111111 -0.4815 8 O -3.7042 -1.1160 -1.8681 O.3 1 UNL11111111111 -0.4076 9 O -3.8751 2.2355 -0.8162 O.3 1 UNL11111111111 -0.3637 10 O -3.6315 -2.3549 0.4276 O.2 1 UNL11111111111 -0.2387 11 O -3.6111 2.0644 1.6947 O.2 1 UNL11111111111 -0.2093 12 O -0.2969 -4.0330 1.2344 O.2 1 UNL11111111111 -0.4150 13 O 1.5626 0.8181 2.8133 O.2 1 UNL11111111111 -0.5081 14 N 2.7213 -1.3672 -1.7763 N.ar 1 UNL11111111111 -0.3486 15 N 2.3354 2.8742 -1.6802 N.ar 1 UNL11111111111 -0.3281 16 C 0.5556 -2.1556 -1.0545 C.ar 1 UNL11111111111 -0.0486 17 C 0.5172 2.6877 -0.1021 C.ar 1 UNL11111111111 -0.0175 18 C -0.8757 -2.4504 -1.3967 C.3 1 UNL11111111111 -0.0442 19 C -0.9038 3.0419 0.2360 C.3 1 UNL11111111111 -0.0262 20 C 1.0528 -2.3930 0.2272 C.ar 1 UNL11111111111 -0.1643 21 C 1.3306 1.9520 0.7795 C.ar 1 UNL11111111111 -0.2901 22 C 2.3967 -2.1140 0.4765 C.ar 1 UNL11111111111 0.1673 23 C 2.6640 1.7533 0.4147 C.ar 1 UNL11111111111 0.2533 24 C 3.2284 -1.6350 -0.5614 C.ar 1 UNL11111111111 0.0977 25 C 3.1447 2.2197 -0.8513 C.ar 1 UNL11111111111 0.1378 26 C 1.4178 -1.6022 -2.0133 C.ar 1 UNL11111111111 -0.0047 27 C 1.0512 3.1097 -1.3152 C.ar 1 UNL11111111111 -0.0410 28 C 4.6865 -1.4222 -0.3490 C.3 1 UNL11111111111 -0.4527 29 C 4.5439 1.9599 -1.2803 C.3 1 UNL11111111111 -0.4356 30 C 0.2031 -2.9415 1.3245 C.2 1 UNL11111111111 0.3895 31 C 0.8123 1.3713 2.0273 C.2 1 UNL11111111111 0.4063 32 H -1.0632 -2.4354 -2.4914 H 1 UNL11111111111 0.1405 33 H -1.1875 -3.4473 -1.0013 H 1 UNL11111111111 0.1692 34 H -1.3105 3.8091 -0.4585 H 1 UNL11111111111 0.1372 35 H -0.9836 3.4396 1.2715 H 1 UNL11111111111 0.1403 36 H 1.0660 -1.3409 -3.0179 H 1 UNL11111111111 0.1800 37 H 0.4575 3.6610 -2.0522 H 1 UNL11111111111 0.1780 38 H 5.1672 -2.2923 0.1197 H 1 UNL11111111111 0.1615 39 H 5.2112 -1.2530 -1.3068 H 1 UNL11111111111 0.1844 40 H 4.8793 -0.5325 0.2724 H 1 UNL11111111111 0.1789 41 H 4.6073 0.9832 -1.7962 H 1 UNL11111111111 0.1840 42 H 4.8994 2.7161 -1.9989 H 1 UNL11111111111 0.1750 43 H 5.2420 1.9411 -0.4312 H 1 UNL11111111111 0.1680 44 H 0.0707 -2.3031 2.2075 H 1 UNL11111111111 0.1407 45 H -0.2621 1.4215 2.2510 H 1 UNL11111111111 0.1673 46 H 3.7484 -2.0005 1.8829 H 1 UNL11111111111 0.3370 47 H 3.1168 0.8457 2.0764 H 1 UNL11111111111 0.3810 48 H -4.7162 -1.2289 -1.8063 H 1 UNL11111111111 0.3217 49 H -3.5165 1.8348 -1.6883 H 1 UNL11111111111 0.3227 @BOND 1 1 3 1 2 1 5 1 3 1 8 1 4 1 10 2 5 2 4 1 6 2 5 1 7 2 9 1 8 2 11 2 9 3 18 1 10 4 19 1 11 6 22 1 12 6 46 1 13 7 23 1 14 7 47 1 15 8 48 1 16 9 49 1 17 12 30 2 18 13 31 2 19 14 24 ar 20 14 26 ar 21 15 25 ar 22 15 27 ar 23 16 18 1 24 16 20 ar 25 16 26 ar 26 17 19 1 27 17 21 ar 28 17 27 ar 29 18 32 1 30 18 33 1 31 19 34 1 32 19 35 1 33 20 22 ar 34 20 30 1 35 21 23 ar 36 21 31 1 37 22 24 ar 38 23 25 ar 39 24 28 1 40 25 29 1 41 26 36 1 42 27 37 1 43 28 38 1 44 28 39 1 45 28 40 1 46 29 41 1 47 29 42 1 48 29 43 1 49 30 44 1 50 31 45 1