@MOLECULE 2-bromo-3-[(4ar,6r,7r,7as)-2,7-dihydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,5-dihydro-9h-imidazo[1,2-a]purin-9-one 47 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR 4.7381 -2.1512 -0.0442 Br 1 UNL1 0.0808 2 P -0.1597 4.3815 -0.1530 P.3 1 UNL1 0.3471 3 O 2.0319 0.9868 1.4302 O.3 1 UNL1 -0.3916 4 O 1.0772 3.6005 -0.8672 O.3 1 UNL1 -0.2984 5 O -0.2088 3.9590 1.3945 O.3 1 UNL1 -0.2004 6 O 3.5984 2.2976 -1.0396 O.3 1 UNL1 -0.5481 7 O -1.4557 3.6277 -0.7062 O.3 1 UNL1 -0.3793 8 O -0.0497 5.8132 -0.3362 O.2 1 UNL1 -0.1999 9 O -0.7000 -4.5002 -0.1664 O.2 1 UNL1 -0.3926 10 N 2.1948 -0.8150 0.0103 N.ar 1 UNL1 -0.3584 11 N 2.1020 -3.1029 -0.0835 N.ar 1 UNL1 -0.2462 12 N -0.2289 -0.3359 0.0143 N.ar 1 UNL1 -0.5516 13 N -1.5584 -2.3992 -0.0865 N.ar 1 UNL1 -0.4289 14 N -2.6502 -0.4276 -0.0343 N.ar 1 UNL1 -0.3880 15 C 1.2120 2.2618 -0.3806 C.3 1 UNL1 0.0085 16 C 1.5277 2.2859 1.1401 C.3 1 UNL1 0.0306 17 C 2.4399 1.5179 -0.9232 C.3 1 UNL1 0.0702 18 C 2.7209 0.5184 0.2702 C.3 1 UNL1 0.2555 19 C 0.2288 2.6486 1.8510 C.3 1 UNL1 -0.0558 20 C 0.8504 -1.1717 0.0031 C.ar 1 UNL1 0.3428 21 C 2.8996 -2.0505 -0.0177 C.ar 1 UNL1 0.1417 22 C 0.8012 -2.6025 -0.0693 C.ar 1 UNL1 -0.2562 23 C -0.4290 -3.3363 -0.1132 C.ar 1 UNL1 0.6393 24 C -1.3927 -1.0000 -0.0307 C.ar 1 UNL1 0.4778 25 C -2.9377 -2.6757 -0.1120 C.ar 1 UNL1 -0.0283 26 C -3.6122 -1.4701 -0.0756 C.ar 1 UNL1 0.0449 27 C -5.0334 -1.1890 -0.0720 C.ar 1 UNL1 -0.0269 28 C -5.8981 -2.0387 0.6264 C.ar 1 UNL1 -0.1295 29 C -5.5453 -0.0832 -0.7593 C.ar 1 UNL1 -0.1478 30 C -7.2655 -1.7775 0.6405 C.ar 1 UNL1 -0.1398 31 C -6.9132 0.1745 -0.7371 C.ar 1 UNL1 -0.1403 32 C -7.7737 -0.6701 -0.0370 C.ar 1 UNL1 -0.1327 33 H 0.2986 1.6510 -0.6307 H 1 UNL1 0.1977 34 H 2.3539 2.9896 1.4041 H 1 UNL1 0.1518 35 H 2.2948 1.0132 -1.8957 H 1 UNL1 0.1606 36 H 3.8050 0.4832 0.5343 H 1 UNL1 0.1752 37 H 0.3581 2.8609 2.9326 H 1 UNL1 0.1505 38 H -0.5633 1.8858 1.7218 H 1 UNL1 0.1543 39 H 3.3759 3.2567 -1.0127 H 1 UNL1 0.3464 40 H -1.6210 3.9302 -1.6697 H 1 UNL1 0.3214 41 H -2.8314 0.5559 0.0275 H 1 UNL1 0.3536 42 H -3.3031 -3.6882 -0.1622 H 1 UNL1 0.2089 43 H -5.5014 -2.9004 1.1634 H 1 UNL1 0.1627 44 H -4.8818 0.5697 -1.3235 H 1 UNL1 0.1541 45 H -7.9386 -2.4392 1.1846 H 1 UNL1 0.1564 46 H -7.3124 1.0366 -1.2701 H 1 UNL1 0.1546 47 H -8.8432 -0.4652 -0.0212 H 1 UNL1 0.1534 @BOND 1 35 17 1 2 40 7 1 3 44 29 1 4 46 31 1 5 6 39 1 6 6 17 1 7 17 15 1 8 17 18 1 9 4 15 1 10 4 2 1 11 29 31 ar 12 29 27 ar 13 31 32 ar 14 7 2 1 15 33 15 1 16 15 16 1 17 8 2 2 18 9 23 2 19 42 25 1 20 2 5 1 21 23 13 ar 22 23 22 ar 23 25 13 ar 24 25 26 ar 25 13 24 ar 26 11 22 ar 27 11 21 ar 28 26 27 1 29 26 14 ar 30 27 28 ar 31 22 20 ar 32 1 21 1 33 32 47 1 34 32 30 ar 35 14 24 ar 36 14 41 1 37 24 12 ar 38 21 10 ar 39 20 10 ar 40 20 12 ar 41 10 18 1 42 18 36 1 43 18 3 1 44 28 30 ar 45 28 43 1 46 30 45 1 47 16 34 1 48 16 3 1 49 16 19 1 50 5 19 1 51 38 19 1 52 19 37 1