@MOLECULE 1-[(2-carboxyphenyl)amino]-1-deoxy-5-o-phosphono-d-ribulose 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 P 1.9077 2.2013 0.1234 P.3 1 UNL1111111111 0.3601 2 O 4.2284 -1.9328 -1.4125 O.3 1 UNL1111111111 -0.5392 3 O 3.1668 -2.5574 1.0285 O.3 1 UNL1111111111 -0.5502 4 O 2.2488 0.8167 -0.5828 O.3 1 UNL1111111111 -0.2765 5 O 0.7680 -1.6397 1.6619 O.2 1 UNL1111111111 -0.4009 6 O 2.0171 1.8401 1.6687 O.3 1 UNL1111111111 -0.2998 7 O 3.2003 3.1266 -0.0357 O.3 1 UNL1111111111 -0.3972 8 O 0.6555 2.6828 -0.4295 O.2 1 UNL1111111111 -0.2597 9 O -4.8159 0.3808 1.9839 O.3 1 UNL1111111111 -0.5544 10 O -2.8436 -0.5825 2.2901 O.2 1 UNL1111111111 -0.5661 11 N -1.2982 -0.9042 0.0902 N.pl3 1 UNL1111111111 -0.4845 12 C 2.2909 -2.2592 -0.0366 C.3 1 UNL1111111111 -0.0238 13 C 3.0496 -1.3008 -0.9794 C.3 1 UNL1111111111 0.0987 14 C 0.9703 -1.6976 0.4765 C.2 1 UNL1111111111 0.4103 15 C 3.4241 0.0314 -0.2894 C.3 1 UNL1111111111 -0.0696 16 C -0.0503 -1.2845 -0.5635 C.3 1 UNL1111111111 -0.1745 17 C -2.3823 -0.4836 -0.6218 C.ar 1 UNL1111111111 0.3539 18 C -3.5813 -0.1145 0.0523 C.ar 1 UNL1111111111 -0.3472 19 C -2.3645 -0.4275 -2.0459 C.ar 1 UNL1111111111 -0.3446 20 C -4.6991 0.2943 -0.6910 C.ar 1 UNL1111111111 0.0357 21 C -3.4821 -0.0192 -2.7415 C.ar 1 UNL1111111111 -0.0027 22 C -4.6611 0.3424 -2.0724 C.ar 1 UNL1111111111 -0.3060 23 C -3.6585 -0.1509 1.5007 C.2 1 UNL1111111111 0.6774 24 H 2.1294 -3.2468 -0.5368 H 1 UNL1111111111 0.1689 25 H 2.4914 -1.1201 -1.9282 H 1 UNL1111111111 0.1570 26 H 4.3094 0.4817 -0.7838 H 1 UNL1111111111 0.1462 27 H 3.6430 -0.1043 0.7853 H 1 UNL1111111111 0.1478 28 H 0.3544 -0.4343 -1.1785 H 1 UNL1111111111 0.1983 29 H -0.2334 -2.1306 -1.2719 H 1 UNL1111111111 0.1635 30 H -1.2943 -0.8609 1.1122 H 1 UNL1111111111 0.3675 31 H 4.7091 -2.3186 -0.6421 H 1 UNL1111111111 0.3363 32 H 2.8216 -2.1865 1.8798 H 1 UNL1111111111 0.3494 33 H -1.4614 -0.6866 -2.5856 H 1 UNL1111111111 0.1595 34 H -5.6151 0.5783 -0.1612 H 1 UNL1111111111 0.1671 35 H -3.4549 0.0280 -3.8318 H 1 UNL1111111111 0.1400 36 H -5.5300 0.6588 -2.6395 H 1 UNL1111111111 0.1587 37 H 1.7919 2.6913 2.2063 H 1 UNL1111111111 0.3209 38 H 3.1699 3.5873 -0.9469 H 1 UNL1111111111 0.3241 39 H -4.8637 0.3451 2.9723 H 1 UNL1111111111 0.3557 @BOND 1 1 4 1 2 1 6 1 3 1 7 1 4 1 8 2 5 2 13 1 6 2 31 1 7 3 12 1 8 3 32 1 9 4 15 1 10 5 14 2 11 6 37 1 12 7 38 1 13 9 23 1 14 9 39 1 15 10 23 2 16 11 16 1 17 11 17 1 18 11 30 1 19 12 13 1 20 12 14 1 21 12 24 1 22 13 15 1 23 13 25 1 24 14 16 1 25 15 26 1 26 15 27 1 27 16 28 1 28 16 29 1 29 17 18 ar 30 17 19 ar 31 18 20 ar 32 18 23 1 33 19 21 ar 34 19 33 1 35 20 22 ar 36 20 34 1 37 21 22 ar 38 21 35 1 39 22 36 1