@MOLECULE (2r,3r,4s,5r,8s,10r,13r,14r,15r,16r)-24-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22-tetraene 8,10-dioxide 57 61 0 0 0 SMALL GASTEIGER @ATOM 1 P 1.3221 -2.9193 -0.6176 P.3 1 UNL11 0.1061 2 P -1.6955 -3.1406 0.0103 P.3 1 UNL11 0.1123 3 O 3.1252 0.1287 -0.8484 O.3 1 UNL11 -0.3396 4 O -3.1328 0.3227 1.1847 O.3 1 UNL11 -0.3507 5 O 5.5842 2.2872 0.1741 O.3 1 UNL11 -0.5574 6 O -4.6794 3.1154 0.1130 O.3 1 UNL11 -0.5904 7 O 4.8845 -0.1216 2.1925 O.3 1 UNL11 -0.5531 8 O -6.0213 0.9032 0.4939 O.3 1 UNL11 -0.5350 9 O 1.5323 -1.8860 0.6306 O.3 1 UNL11 -0.3506 10 O -1.9170 -1.5580 -0.4303 O.3 1 UNL11 -0.3956 11 O -0.1819 -3.3220 -0.3744 O.3 1 UNL11 0.0523 12 O 1.5211 -1.9248 -1.8840 O.3 1 UNL11 -0.3898 13 O -1.9090 -2.9791 1.6182 O.3 1 UNL11 -0.4210 14 O 2.2903 -4.0281 -0.7514 O.2 1 UNL11 -0.2728 15 O -2.7579 -4.0376 -0.4831 O.2 1 UNL11 -0.2674 16 N 2.3950 2.3124 -0.5790 N.ar 1 UNL11 -0.3276 17 N -1.5448 1.8197 0.3499 N.ar 1 UNL11 -0.4636 18 N 0.6210 0.7740 0.2479 N.ar 1 UNL11 -0.3553 19 N 1.0988 4.1694 -0.8623 N.ar 1 UNL11 -0.3278 20 N -1.8701 4.1437 -0.1849 N.pl3 1 UNL11 -0.5371 21 C 3.5779 1.4388 -0.6989 C.3 1 UNL11 0.2441 22 C 4.4827 1.5071 0.5581 C.3 1 UNL11 0.0620 23 C -2.9638 1.6500 0.8088 C.3 1 UNL11 0.2211 24 C -4.0124 1.9586 -0.3035 C.3 1 UNL11 0.0264 25 C 4.8654 0.0292 0.7940 C.3 1 UNL11 0.0399 26 C -4.9036 0.6811 -0.3193 C.3 1 UNL11 0.0474 27 C 3.7376 -0.7693 0.0987 C.3 1 UNL11 0.0142 28 C -3.9445 -0.3887 0.2281 C.3 1 UNL11 0.0009 29 C 2.7165 -1.3070 1.1153 C.3 1 UNL11 -0.0092 30 C 1.1221 1.9571 -0.2101 C.ar 1 UNL11 0.3060 31 C -3.0970 -0.9895 -0.9144 C.3 1 UNL11 -0.0182 32 C -1.0766 3.0546 -0.0802 C.ar 1 UNL11 0.4717 33 C 0.3065 3.1245 -0.3872 C.ar 1 UNL11 -0.2165 34 C 2.3298 3.6769 -0.9806 C.ar 1 UNL11 0.1455 35 C -0.6564 0.7148 0.5081 C.ar 1 UNL11 0.3358 36 H 4.1192 1.7187 -1.6438 H 1 UNL11 0.1776 37 H 3.9933 1.9569 1.4477 H 1 UNL11 0.1603 38 H -3.1058 2.2625 1.7358 H 1 UNL11 0.1712 39 H -3.5745 2.1771 -1.2982 H 1 UNL11 0.1560 40 H 5.8744 -0.2110 0.3967 H 1 UNL11 0.1471 41 H -5.3443 0.4542 -1.3112 H 1 UNL11 0.1737 42 H 4.1326 -1.5683 -0.5751 H 1 UNL11 0.1845 43 H -4.4208 -1.1674 0.8647 H 1 UNL11 0.1941 44 H 3.2240 -2.0336 1.7889 H 1 UNL11 0.1129 45 H 2.3054 -0.4717 1.7282 H 1 UNL11 0.1359 46 H -3.7333 -1.6794 -1.5120 H 1 UNL11 0.1457 47 H -2.7169 -0.1951 -1.5938 H 1 UNL11 0.1094 48 H 3.2064 4.2157 -1.3215 H 1 UNL11 0.2143 49 H -1.1119 -0.2609 0.8662 H 1 UNL11 0.3127 50 H 6.2366 2.3427 0.9062 H 1 UNL11 0.3418 51 H -5.6600 2.9680 0.1582 H 1 UNL11 0.3754 52 H 5.0066 -1.0633 2.4428 H 1 UNL11 0.3335 53 H -5.7978 0.7879 1.4472 H 1 UNL11 0.3348 54 H -2.8678 4.1233 -0.0362 H 1 UNL11 0.3475 55 H -1.4638 5.0091 -0.5259 H 1 UNL11 0.3493 56 H 1.2823 -0.9826 -1.5853 H 1 UNL11 0.3091 57 H -1.0610 -2.6124 2.0307 H 1 UNL11 0.3059 @BOND 1 1 9 1 2 1 11 1 3 1 12 1 4 1 14 2 5 2 10 1 6 2 11 1 7 2 13 1 8 2 15 2 9 3 21 1 10 3 27 1 11 4 23 1 12 4 28 1 13 5 22 1 14 5 50 1 15 6 24 1 16 6 51 1 17 7 25 1 18 7 52 1 19 8 26 1 20 8 53 1 21 9 29 1 22 10 31 1 23 12 56 1 24 13 57 1 25 16 21 1 26 16 30 ar 27 16 34 ar 28 17 23 1 29 17 32 ar 30 17 35 ar 31 18 30 ar 32 18 35 ar 33 19 33 ar 34 19 34 ar 35 20 32 1 36 20 54 1 37 20 55 1 38 21 22 1 39 21 36 1 40 22 25 1 41 22 37 1 42 23 24 1 43 23 38 1 44 24 26 1 45 24 39 1 46 25 27 1 47 25 40 1 48 26 28 1 49 26 41 1 50 27 29 1 51 27 42 1 52 28 31 1 53 28 43 1 54 29 44 1 55 29 45 1 56 30 33 ar 57 31 46 1 58 31 47 1 59 32 33 ar 60 34 48 1 61 35 49 1