@MOLECULE 1-deoxy-5-o-phosphono-d-(~13~c_5_)ribulose 23 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.7762 0.0504 -0.0292 P.3 1 UNL1 0.3605 2 O -1.2632 0.4241 0.2327 O.3 1 UNL1 -0.2610 3 O 1.4074 1.1760 0.8117 O.3 1 UNL1 -0.5860 4 O 2.0813 -1.8170 0.0838 O.3 1 UNL1 -0.5445 5 O 4.2154 -0.3914 0.6909 O.2 1 UNL1 -0.4524 6 O -2.6410 -1.0232 -1.1925 O.3 1 UNL1 -0.3908 7 O -3.5130 1.3053 -0.3429 O.2 1 UNL1 -0.1288 8 O -3.5728 -0.3907 1.1521 O.3 1 UNL1 -0.1648 9 C 0.9878 0.3079 -0.2246 C.3 1 UNL1 0.0963 10 C 2.2112 -0.5732 -0.5565 C.3 1 UNL1 0.0066 11 C -0.1958 -0.5583 0.2408 C.3 1 UNL1 -0.0540 12 C 3.5122 0.1223 -0.1423 C.2 1 UNL1 0.4777 13 C 3.8435 1.4091 -0.8170 C.3 1 UNL1 -0.5466 14 H 0.7074 0.9531 -1.0906 H 1 UNL1 0.1434 15 H 2.2257 -0.8378 -1.6400 H 1 UNL1 0.1588 16 H -0.3249 -1.4449 -0.4102 H 1 UNL1 0.1641 17 H -0.0623 -0.8989 1.2891 H 1 UNL1 0.1533 18 H 0.6330 1.5589 1.2770 H 1 UNL1 0.3449 19 H 3.2546 2.2281 -0.3599 H 1 UNL1 0.2020 20 H 4.9042 1.6734 -0.6844 H 1 UNL1 0.1827 21 H 3.6274 1.4052 -1.8905 H 1 UNL1 0.1665 22 H 2.6318 -1.8435 0.9071 H 1 UNL1 0.3471 23 H -3.5652 -1.3965 -1.4207 H 1 UNL1 0.3250 @BOND 1 21 13 1 2 15 10 1 3 23 6 1 4 6 1 1 5 14 9 1 6 13 20 1 7 13 19 1 8 13 12 1 9 10 9 1 10 10 12 1 11 10 4 1 12 16 11 1 13 7 1 2 14 9 11 1 15 9 3 1 16 12 5 2 17 1 2 1 18 1 8 1 19 4 22 1 20 2 11 1 21 11 17 1 22 3 18 1