@MOLECULE [(20S,21R,22R)-5-[[19-amino-5-[formyl-[(23R,24R,25R,26S)-24-hydroxy-9-methoxy-18,27-dioxo-42,43,45-trioxapentacyclo[BLAH.BLAH.BLAH.BLAH.BLAH.BLAH]nonadeca-2(9),8(12),10(13),11(15)-tetraen-25-yl]amino]-16-oxo-1H-pyrimidin-17-yl]amino]-3-hydroxy-tetrahydrofuran-22-yl]methyl dihydrogen phosphate 76 82 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.9514 -0.1054 -0.9985 C.ar 1 UNL1111111 0.3390 2 C 4.8438 -1.2847 -1.2305 C.3 1 UNL1111111 -0.3061 3 C 6.2127 -0.8635 -0.6616 C.3 1 UNL1111111 -0.3837 4 C 5.9954 0.5226 -0.0433 C.2 1 UNL1111111 0.5217 5 O 6.8236 1.1144 0.5879 O.2 1 UNL1111111 -0.4288 6 P 1.9182 -0.6853 2.3386 P.3 1 UNL1111111 0.3385 7 O 2.2381 -0.5409 3.7471 O.2 1 UNL1111111 -0.2613 8 O 0.9439 0.3920 1.6679 O.3 1 UNL1111111 -0.4103 9 O 1.1675 -2.0555 2.0568 O.3 1 UNL1111111 -0.1465 10 C 0.7080 -2.4020 0.7275 C.3 1 UNL1111111 -0.0908 11 C -0.3197 -3.4923 1.0692 C.3 1 UNL1111111 0.0196 12 O -1.4001 -2.9264 1.8030 O.3 1 UNL1111111 -0.3869 13 C -2.4854 -2.6153 0.9561 C.3 1 UNL1111111 0.3172 14 N -2.4957 -1.1480 0.8304 N.pl3 1 UNL1111111 -0.5260 15 C -3.6091 -0.4897 0.4136 C.ar 1 UNL1111111 0.5096 16 N -4.6347 -1.2995 -0.0564 N.ar 1 UNL1111111 -0.6528 17 C -5.7431 -0.7159 -0.5339 C.ar 1 UNL1111111 0.6220 18 N -6.7154 -1.5342 -1.0614 N.pl3 1 UNL1111111 -0.6190 19 N -5.9556 0.6496 -0.5285 N.ar 1 UNL1111111 -0.6174 20 C -4.9377 1.5442 -0.0129 C.ar 1 UNL1111111 0.6286 21 O -5.2260 2.7160 -0.0515 O.2 1 UNL1111111 -0.4875 22 C -3.7488 0.9091 0.4783 C.ar 1 UNL1111111 -0.3349 23 N -2.6903 1.7332 0.9171 N.am 1 UNL1111111 -0.4533 24 C -2.5753 2.0244 2.2768 C.2 1 UNL1111111 0.4923 25 O -1.8314 2.9220 2.6237 O.2 1 UNL1111111 -0.5618 26 C -2.2548 -3.3348 -0.3883 C.3 1 UNL1111111 -0.4045 27 C -0.9450 -4.1127 -0.2013 C.3 1 UNL1111111 0.1223 28 O -1.1879 -5.4822 -0.0124 O.3 1 UNL1111111 -0.5532 29 C -2.2314 2.7632 -0.0303 C.3 1 UNL1111111 0.2337 30 C -0.6871 2.9398 0.0554 C.3 1 UNL1111111 0.1198 31 O -0.4139 4.2669 0.4196 O.3 1 UNL1111111 -0.5430 32 C -0.1846 2.7219 -1.3808 C.3 1 UNL1111111 -0.1501 33 C 0.6836 1.5224 -1.4993 C.ar 1 UNL1111111 -0.3515 34 O -2.5686 2.3584 -1.3514 O.3 1 UNL1111111 -0.3894 35 C -1.4518 2.2805 -2.1708 C.3 1 UNL1111111 0.2938 36 O -1.2577 0.8663 -2.5373 O.3 1 UNL1111111 -0.3511 37 C -0.0257 0.4971 -2.1502 C.ar 1 UNL1111111 0.4042 38 C 0.5095 -0.7619 -2.4340 C.ar 1 UNL1111111 -0.4950 39 C 1.8378 -0.9552 -2.0690 C.ar 1 UNL1111111 0.4057 40 O 2.5410 -2.0835 -2.3062 O.3 1 UNL1111111 -0.3154 41 C 1.8863 -3.1411 -2.9983 C.3 1 UNL1111111 -0.1990 42 C 2.6084 0.0373 -1.4088 C.ar 1 UNL1111111 -0.3820 43 C 1.9927 1.2883 -1.1007 C.ar 1 UNL1111111 0.4608 44 O 2.6241 2.2724 -0.4749 O.2 1 UNL1111111 -0.3663 45 C 3.9902 2.1558 -0.0263 C.ar 1 UNL1111111 0.6294 46 O 4.3428 3.1483 0.5316 O.2 1 UNL1111111 -0.3623 47 C 4.6111 0.9122 -0.3380 C.ar 1 UNL1111111 -0.4971 48 H 4.4422 -2.1852 -0.7193 H 1 UNL1111111 0.1865 49 H 4.8969 -1.5480 -2.3040 H 1 UNL1111111 0.1700 50 H 6.9916 -0.8204 -1.4406 H 1 UNL1111111 0.1697 51 H 6.5869 -1.5679 0.0998 H 1 UNL1111111 0.1736 52 H 0.9235 1.2377 2.2508 H 1 UNL1111111 0.3391 53 H 0.2358 -1.5746 0.1609 H 1 UNL1111111 0.1541 54 H 1.5508 -2.8138 0.1366 H 1 UNL1111111 0.1373 55 H 0.1004 -4.2471 1.7708 H 1 UNL1111111 0.1711 56 H -3.3966 -2.9567 1.5073 H 1 UNL1111111 0.1578 57 H -1.6611 -0.6410 1.1219 H 1 UNL1111111 0.3569 58 H -6.5945 -2.5288 -1.0053 H 1 UNL1111111 0.3322 59 H -7.6016 -1.1842 -1.3506 H 1 UNL1111111 0.3157 60 H -6.7931 1.0711 -0.9161 H 1 UNL1111111 0.3309 61 H -3.1091 1.3704 2.9763 H 1 UNL1111111 0.1465 62 H -2.1995 -2.6217 -1.2300 H 1 UNL1111111 0.1821 63 H -3.0963 -4.0033 -0.6379 H 1 UNL1111111 0.1756 64 H -0.2846 -4.1049 -1.0895 H 1 UNL1111111 0.1422 65 H -1.7866 -5.6351 0.7493 H 1 UNL1111111 0.3256 66 H -2.7999 3.7210 0.1116 H 1 UNL1111111 0.1775 67 H -0.2090 2.2480 0.7821 H 1 UNL1111111 0.1607 68 H -0.6632 4.3869 1.3725 H 1 UNL1111111 0.3485 69 H 0.2857 3.6492 -1.7763 H 1 UNL1111111 0.1979 70 H -1.7120 2.7611 -3.1268 H 1 UNL1111111 0.1568 71 H -0.0899 -1.5053 -2.9372 H 1 UNL1111111 0.1870 72 H 1.4629 -2.8027 -3.9504 H 1 UNL1111111 0.1447 73 H 1.1210 -3.5927 -2.3574 H 1 UNL1111111 0.1367 74 H 2.7075 -3.8485 -3.1765 H 1 UNL1111111 0.1548 75 O 3.1311 -0.7432 1.3075 O.3 1 UNL1111111 -0.3984 76 H 3.8744 -0.1110 1.6290 H 1 UNL1111111 0.3358 @BOND 1 1 2 1 2 1 42 ar 3 1 47 ar 4 2 3 1 5 2 48 1 6 2 49 1 7 3 4 1 8 3 50 1 9 3 51 1 10 4 5 2 11 4 47 1 12 6 7 2 13 6 8 1 14 6 9 1 15 6 75 1 16 8 52 1 17 9 10 1 18 10 11 1 19 10 53 1 20 10 54 1 21 11 12 1 22 11 27 1 23 11 55 1 24 12 13 1 25 13 14 1 26 13 26 1 27 13 56 1 28 14 15 1 29 14 57 1 30 15 16 ar 31 15 22 ar 32 16 17 ar 33 17 18 1 34 17 19 ar 35 18 58 1 36 18 59 1 37 19 20 ar 38 19 60 1 39 20 21 2 40 20 22 ar 41 22 23 1 42 23 24 am 43 23 29 1 44 24 25 2 45 24 61 1 46 26 27 1 47 26 62 1 48 26 63 1 49 27 28 1 50 27 64 1 51 28 65 1 52 29 30 1 53 29 34 1 54 29 66 1 55 30 31 1 56 30 32 1 57 30 67 1 58 31 68 1 59 32 33 1 60 32 35 1 61 32 69 1 62 33 37 ar 63 33 43 ar 64 34 35 1 65 35 36 1 66 35 70 1 67 36 37 1 68 37 38 ar 69 38 39 ar 70 38 71 1 71 39 40 1 72 39 42 ar 73 40 41 1 74 41 72 1 75 41 73 1 76 41 74 1 77 42 43 ar 78 43 44 ar 79 44 45 ar 80 45 46 2 81 45 47 ar 82 75 76 1