@MOLECULE 3-(3-biphenylyl)-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.2620 -1.5601 -1.1342 C.ar 1 UNL1111 -0.1584 2 C 5.6958 -2.8734 -0.9731 C.ar 1 UNL1111 -0.1429 3 C 5.3523 -3.5880 0.1734 C.ar 1 UNL1111 -0.1545 4 C 4.5711 -2.9883 1.1602 C.ar 1 UNL1111 -0.1464 5 C 4.1328 -1.6764 1.0023 C.ar 1 UNL1111 -0.1518 6 C 4.4799 -0.9573 -0.1456 C.ar 1 UNL1111 -0.0117 7 C 4.0213 0.4275 -0.3061 C.ar 1 UNL1111 -0.0105 8 C 2.6658 0.7271 -0.1612 C.ar 1 UNL1111 -0.1718 9 C 4.9341 1.4466 -0.5911 C.ar 1 UNL1111 -0.1627 10 C 4.4904 2.7608 -0.7202 C.ar 1 UNL1111 -0.1330 11 C 3.1404 3.0651 -0.5643 C.ar 1 UNL1111 -0.1579 12 C 2.2253 2.0470 -0.2865 C.ar 1 UNL1111 0.0044 13 C 0.8014 2.3456 -0.1094 C.ar 1 UNL1111 -0.0494 14 C -0.1337 1.6327 -0.8347 C.ar 1 UNL1111 -0.0349 15 C 0.3890 3.3273 0.8164 C.ar 1 UNL1111 -0.2643 16 C -0.9882 3.5432 0.9921 C.ar 1 UNL1111 -0.1551 17 C -1.9113 2.8152 0.2752 C.ar 1 UNL1111 -0.0606 18 N -1.4981 1.8870 -0.6852 N.ar 1 UNL1111 -0.2646 19 C -2.4537 0.8678 -1.1336 C.3 1 UNL1111 -0.0684 20 C -3.0208 -0.0805 0.0177 C.3 1 UNL1111 0.4104 21 P -4.2538 -1.3458 -0.8100 P.3 1 UNL1111 0.2895 22 O -5.3156 -2.0150 -0.0655 O.2 1 UNL1111 -0.3339 23 O -3.1953 -2.2671 -1.5730 O.3 1 UNL1111 -0.3724 24 O -4.7741 -0.3636 -1.9689 O.3 1 UNL1111 -0.4314 25 P -1.7055 -0.6604 1.3409 P.3 1 UNL1111 0.2798 26 O -0.3002 -0.0476 0.9006 O.3 1 UNL1111 -0.4040 27 O -1.5321 -2.1823 0.9090 O.3 1 UNL1111 -0.3045 28 O -2.1086 -0.3663 2.7162 O.2 1 UNL1111 -0.3679 29 O -3.8676 0.7867 0.7335 O.3 1 UNL1111 -0.5093 30 H 5.5254 -1.0027 -2.0316 H 1 UNL1111 0.1555 31 H 6.3027 -3.3419 -1.7455 H 1 UNL1111 0.1485 32 H 5.6948 -4.6126 0.2983 H 1 UNL1111 0.1470 33 H 4.3056 -3.5453 2.0564 H 1 UNL1111 0.1483 34 H 3.5246 -1.2045 1.7734 H 1 UNL1111 0.1605 35 H 1.9503 -0.0701 0.0502 H 1 UNL1111 0.1742 36 H 5.9905 1.2125 -0.7014 H 1 UNL1111 0.1532 37 H 5.2026 3.5535 -0.9410 H 1 UNL1111 0.1485 38 H 2.7925 4.0912 -0.6606 H 1 UNL1111 0.1576 39 H 0.1480 0.8606 -1.5501 H 1 UNL1111 0.1682 40 H 1.1164 3.8902 1.3814 H 1 UNL1111 0.1538 41 H -1.3253 4.2898 1.7076 H 1 UNL1111 0.1506 42 H -2.9871 2.9233 0.4106 H 1 UNL1111 0.1737 43 H -1.9837 0.2667 -1.9538 H 1 UNL1111 0.1750 44 H -3.3199 1.4311 -1.5839 H 1 UNL1111 0.1806 45 H -3.6305 -3.1416 -1.8581 H 1 UNL1111 0.3153 46 H -5.6933 -0.6466 -2.2892 H 1 UNL1111 0.3242 47 H -0.0065 0.6767 1.5714 H 1 UNL1111 0.3455 48 H -0.8207 -2.6175 1.5083 H 1 UNL1111 0.3097 49 H -4.2147 0.4409 1.6060 H 1 UNL1111 0.3486 @BOND 1 1 6 ar 2 1 2 ar 3 1 30 1 4 2 3 ar 5 2 31 1 6 3 4 ar 7 3 32 1 8 4 5 ar 9 4 33 1 10 5 6 ar 11 5 34 1 12 6 7 1 13 7 9 ar 14 7 8 ar 15 8 12 ar 16 8 35 1 17 9 10 ar 18 9 36 1 19 10 11 ar 20 10 37 1 21 11 12 ar 22 11 38 1 23 12 13 1 24 13 14 ar 25 13 15 ar 26 14 18 ar 27 14 39 1 28 15 16 ar 29 15 40 1 30 16 17 ar 31 16 41 1 32 17 18 ar 33 17 42 1 34 18 19 1 35 19 20 1 36 19 43 1 37 19 44 1 38 20 21 1 39 20 29 1 40 20 25 1 41 21 22 2 42 21 23 1 43 21 24 1 44 23 45 1 45 24 46 1 46 25 28 2 47 25 26 1 48 25 27 1 49 26 47 1 50 27 48 1 51 29 49 1