@MOLECULE [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(3-BLAHpropylamino)propyl]amino]butyl] dihydrogen phosphate 79 78 0 0 0 SMALL GASTEIGER @ATOM 1 P -8.3109 2.8699 0.1448 P.3 1 UNL111111111 0.3396 2 O -7.0390 3.6931 -0.3293 O.3 1 UNL111111111 -0.2805 3 O -9.4477 3.0383 -0.7389 O.2 1 UNL111111111 -0.2452 4 O -7.7816 1.3898 0.4694 O.3 1 UNL111111111 -0.3365 5 C -7.6621 0.3925 -0.5662 C.3 1 UNL111111111 -0.0242 6 C -7.5974 -0.9229 0.2529 C.3 1 UNL111111111 0.0347 7 C -6.5838 -0.7809 1.3910 C.3 1 UNL111111111 -0.4630 8 C -8.9822 -1.2528 0.8163 C.3 1 UNL111111111 -0.4478 9 C -7.1743 -2.0836 -0.6894 C.3 1 UNL111111111 0.0339 10 O -8.0717 -2.1920 -1.7624 O.3 1 UNL111111111 -0.5231 11 C -5.7673 -1.8650 -1.2625 C.2 1 UNL111111111 0.5312 12 O -5.6026 -1.2094 -2.2723 O.2 1 UNL111111111 -0.5290 13 N -4.7166 -2.4598 -0.6017 N.am 1 UNL111111111 -0.5987 14 C -3.3387 -2.2409 -1.0509 C.3 1 UNL111111111 -0.0446 15 C -2.5154 -1.5671 0.0637 C.3 1 UNL111111111 -0.3994 16 C -1.1766 -1.1398 -0.5032 C.2 1 UNL111111111 0.5761 17 O -1.0738 -0.3090 -1.3827 O.2 1 UNL111111111 -0.5257 18 N -0.0621 -1.7370 0.0441 N.am 1 UNL111111111 -0.6136 19 C 1.2842 -1.3381 -0.3930 C.3 1 UNL111111111 -0.0645 20 C 2.2294 -1.2461 0.8233 C.3 1 UNL111111111 -0.2691 21 C 3.5896 -0.7316 0.3776 C.3 1 UNL111111111 -0.5491 22 S 4.6539 -0.4416 1.8901 S.3 1 UNL111111111 1.2564 23 O 5.6147 -0.4896 3.3166 O.3 1 UNL111111111 -0.8527 24 O 5.2251 -2.0507 1.6096 O.3 1 UNL111111111 -0.7519 25 C 5.9355 0.5608 0.9844 C.3 1 UNL111111111 -0.4657 26 C 7.1920 -0.2247 0.6211 C.3 1 UNL111111111 -0.2563 27 C 8.2215 0.7205 -0.0201 C.3 1 UNL111111111 -0.2764 28 C 9.6240 0.1002 -0.0565 C.3 1 UNL111111111 -0.2726 29 C 10.6001 1.0551 -0.7599 C.3 1 UNL111111111 -0.2704 30 C 12.0459 0.5535 -0.6572 C.3 1 UNL111111111 -0.2729 31 C 13.0008 1.5218 -1.3687 C.3 1 UNL111111111 -0.2727 32 C 14.4470 1.0124 -1.3097 C.3 1 UNL111111111 -0.2507 33 C 15.3804 1.9281 -2.1023 C.3 1 UNL111111111 -0.4397 34 H -6.2811 3.5546 0.3536 H 1 UNL111111111 0.3081 35 H -8.5117 0.3647 -1.2775 H 1 UNL111111111 0.1427 36 H -6.7177 0.5696 -1.1238 H 1 UNL111111111 0.1455 37 H -6.9555 -0.0773 2.1519 H 1 UNL111111111 0.1712 38 H -6.3951 -1.7304 1.8972 H 1 UNL111111111 0.1304 39 H -5.6304 -0.3704 1.0384 H 1 UNL111111111 0.1528 40 H -9.7058 -1.4288 0.0074 H 1 UNL111111111 0.1645 41 H -8.9670 -2.1477 1.4451 H 1 UNL111111111 0.1366 42 H -9.3684 -0.4270 1.4258 H 1 UNL111111111 0.1578 43 H -7.2778 -3.0675 -0.1788 H 1 UNL111111111 0.1539 44 H -7.8586 -1.5267 -2.4642 H 1 UNL111111111 0.3385 45 H -4.8463 -2.9880 0.2416 H 1 UNL111111111 0.3067 46 H -2.8853 -3.2157 -1.3397 H 1 UNL111111111 0.1408 47 H -3.3344 -1.5960 -1.9712 H 1 UNL111111111 0.1999 48 H -3.0424 -0.6532 0.4197 H 1 UNL111111111 0.1864 49 H -2.4210 -2.2276 0.9413 H 1 UNL111111111 0.1500 50 H -0.1200 -2.4340 0.7624 H 1 UNL111111111 0.3056 51 H 1.6674 -2.0730 -1.1348 H 1 UNL111111111 0.1368 52 H 1.2274 -0.3559 -0.9213 H 1 UNL111111111 0.1670 53 H 1.7768 -0.5813 1.5860 H 1 UNL111111111 0.1445 54 H 2.3258 -2.2437 1.2966 H 1 UNL111111111 0.1417 55 H 4.0724 -1.4468 -0.3096 H 1 UNL111111111 0.1650 56 H 3.4876 0.2153 -0.1696 H 1 UNL111111111 0.1444 57 H 6.5653 -0.5063 3.3001 H 1 UNL111111111 0.3274 58 H 5.5605 -2.4669 2.4204 H 1 UNL111111111 0.3545 59 H 5.4957 1.0094 0.0775 H 1 UNL111111111 0.1611 60 H 6.1892 1.4095 1.6483 H 1 UNL111111111 0.1668 61 H 7.6348 -0.7154 1.5096 H 1 UNL111111111 0.1379 62 H 6.9533 -1.0558 -0.0744 H 1 UNL111111111 0.1561 63 H 7.8992 0.9823 -1.0452 H 1 UNL111111111 0.1386 64 H 8.2598 1.6745 0.5398 H 1 UNL111111111 0.1366 65 H 9.9743 -0.1116 0.9706 H 1 UNL111111111 0.1374 66 H 9.6017 -0.8728 -0.5774 H 1 UNL111111111 0.1406 67 H 10.3145 1.1669 -1.8227 H 1 UNL111111111 0.1369 68 H 10.5244 2.0666 -0.3176 H 1 UNL111111111 0.1358 69 H 12.3379 0.4469 0.4041 H 1 UNL111111111 0.1368 70 H 12.1305 -0.4564 -1.0993 H 1 UNL111111111 0.1379 71 H 12.6916 1.6527 -2.4226 H 1 UNL111111111 0.1371 72 H 12.9357 2.5255 -0.9091 H 1 UNL111111111 0.1359 73 H 14.7830 0.9468 -0.2583 H 1 UNL111111111 0.1335 74 H 14.5018 -0.0176 -1.7113 H 1 UNL111111111 0.1343 75 H 15.3473 2.9572 -1.7279 H 1 UNL111111111 0.1424 76 H 16.4198 1.5874 -2.0381 H 1 UNL111111111 0.1406 77 H 15.1087 1.9544 -3.1634 H 1 UNL111111111 0.1424 78 O -8.4345 3.3592 1.6654 O.3 1 UNL111111111 -0.3542 79 H -9.1757 2.8236 2.1237 H 1 UNL111111111 0.3169 @BOND 1 1 3 2 2 1 4 1 3 1 2 1 4 1 78 1 5 2 34 1 6 4 5 1 7 5 6 1 8 5 35 1 9 5 36 1 10 6 7 1 11 6 8 1 12 6 9 1 13 7 37 1 14 7 38 1 15 7 39 1 16 8 40 1 17 8 41 1 18 8 42 1 19 9 10 1 20 9 11 1 21 9 43 1 22 10 44 1 23 11 12 2 24 11 13 am 25 13 14 1 26 13 45 1 27 14 15 1 28 14 46 1 29 14 47 1 30 15 16 1 31 15 48 1 32 15 49 1 33 16 17 2 34 16 18 am 35 18 19 1 36 18 50 1 37 19 20 1 38 19 51 1 39 19 52 1 40 20 21 1 41 20 53 1 42 20 54 1 43 21 22 1 44 21 55 1 45 21 56 1 46 22 23 1 47 22 24 1 48 22 25 1 49 23 57 1 50 24 58 1 51 25 26 1 52 25 59 1 53 25 60 1 54 26 27 1 55 26 61 1 56 26 62 1 57 27 28 1 58 27 63 1 59 27 64 1 60 28 29 1 61 28 65 1 62 28 66 1 63 29 30 1 64 29 67 1 65 29 68 1 66 30 31 1 67 30 69 1 68 30 70 1 69 31 32 1 70 31 71 1 71 31 72 1 72 32 33 1 73 32 73 1 74 32 74 1 75 33 75 1 76 33 76 1 77 33 77 1 78 78 79 1