REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE PCMD-CC-MCM-114_R MODEL 1 HETATM 1 N <1> 1 20.911 13.927 20.014 1.00 0.00 N HETATM 2 N <1> 1 20.607 13.005 19.008 1.00 0.00 N HETATM 3 C <1> 1 21.325 11.849 18.774 1.00 0.00 C HETATM 4 C <1> 1 20.048 14.166 21.012 1.00 0.00 C HETATM 5 O <1> 1 18.842 13.923 20.932 1.00 0.00 O HETATM 6 O <1> 1 22.197 11.382 19.506 1.00 0.00 O HETATM 7 S <1> 1 20.833 11.059 17.226 1.00 0.00 S HETATM 8 C <1> 1 19.598 9.892 17.875 1.00 0.00 C HETATM 9 C <1> 1 18.937 9.065 16.775 1.00 0.00 C HETATM 10 O <1> 1 17.969 9.525 16.172 1.00 0.00 O HETATM 11 N <1> 1 19.504 7.871 16.521 1.00 0.00 N HETATM 12 C <1> 1 19.205 6.948 15.478 1.00 0.00 C HETATM 13 C <1> 1 20.183 5.979 15.127 1.00 0.00 C HETATM 14 C <1> 1 19.890 5.041 14.109 1.00 0.00 C HETATM 15 C <1> 1 18.644 5.054 13.455 1.00 0.00 C HETATM 16 C <1> 1 17.672 6.001 13.816 1.00 0.00 C HETATM 17 C <1> 1 17.947 6.940 14.825 1.00 0.00 C HETATM 18 C <1> 1 20.632 14.794 22.283 1.00 0.00 C HETATM 19 N <1> 1 21.455 13.823 23.001 1.00 0.00 N HETATM 20 C <1> 1 19.554 15.411 23.199 1.00 0.00 C HETATM 21 C <1> 1 20.030 16.397 24.226 1.00 0.00 C HETATM 22 C <1> 1 20.152 16.150 25.550 1.00 0.00 C HETATM 23 N <1> 1 20.603 17.284 26.193 1.00 0.00 N HETATM 24 C <1> 1 20.801 18.327 25.311 1.00 0.00 C HETATM 25 C <1> 1 20.451 17.783 24.037 1.00 0.00 C HETATM 26 C <1> 1 21.235 19.655 25.469 1.00 0.00 C HETATM 27 C <1> 1 21.334 20.484 24.336 1.00 0.00 C HETATM 28 C <1> 1 21.002 19.977 23.065 1.00 0.00 C HETATM 29 C <1> 1 20.569 18.643 22.919 1.00 0.00 C HETATM 30 C <1> 1 22.805 13.575 22.797 1.00 0.00 C HETATM 31 O <1> 1 23.529 14.197 22.022 1.00 0.00 O HETATM 32 O <1> 1 23.289 12.544 23.560 1.00 0.00 O HETATM 33 C <1> 1 24.618 11.989 23.589 1.00 0.00 C HETATM 34 C <1> 1 25.448 13.119 24.225 1.00 0.00 C HETATM 35 C <1> 1 24.723 10.747 24.502 1.00 0.00 C HETATM 36 C <1> 1 25.176 11.724 22.172 1.00 0.00 C HETATM 37 C <1> 1 22.718 5.377 15.069 1.00 0.00 C HETATM 38 C <1> 1 21.534 5.970 15.848 1.00 0.00 C HETATM 39 H <1> 1 21.815 14.358 19.881 1.00 0.00 H HETATM 40 H <1> 1 19.804 13.265 18.452 1.00 0.00 H HETATM 41 H <1> 1 20.079 9.223 18.590 1.00 0.00 H HETATM 42 H <1> 1 18.826 10.441 18.416 1.00 0.00 H HETATM 43 H <1> 1 20.290 7.625 17.104 1.00 0.00 H HETATM 44 H <1> 1 20.609 4.294 13.810 1.00 0.00 H HETATM 45 H <1> 1 18.433 4.332 12.680 1.00 0.00 H HETATM 46 H <1> 1 16.711 6.005 13.322 1.00 0.00 H HETATM 47 H <1> 1 17.172 7.640 15.096 1.00 0.00 H HETATM 48 H <1> 1 21.288 15.603 21.953 1.00 0.00 H HETATM 49 H <1> 1 20.999 13.246 23.693 1.00 0.00 H HETATM 50 H <1> 1 18.814 15.923 22.581 1.00 0.00 H HETATM 51 H <1> 1 19.008 14.622 23.717 1.00 0.00 H HETATM 52 H <1> 1 19.917 15.206 26.019 1.00 0.00 H HETATM 53 H <1> 1 20.754 17.321 27.191 1.00 0.00 H HETATM 54 H <1> 1 21.489 20.035 26.447 1.00 0.00 H HETATM 55 H <1> 1 21.665 21.507 24.442 1.00 0.00 H HETATM 56 H <1> 1 21.079 20.613 22.195 1.00 0.00 H HETATM 57 H <1> 1 20.319 18.269 21.938 1.00 0.00 H HETATM 58 H <1> 1 26.498 12.842 24.315 1.00 0.00 H HETATM 59 H <1> 1 25.399 14.032 23.630 1.00 0.00 H HETATM 60 H <1> 1 25.086 13.363 25.225 1.00 0.00 H HETATM 61 H <1> 1 25.765 10.459 24.646 1.00 0.00 H HETATM 62 H <1> 1 24.302 10.948 25.487 1.00 0.00 H HETATM 63 H <1> 1 24.215 9.874 24.096 1.00 0.00 H HETATM 64 H <1> 1 26.239 11.483 22.213 1.00 0.00 H HETATM 65 H <1> 1 24.690 10.889 21.671 1.00 0.00 H HETATM 66 H <1> 1 25.065 12.602 21.535 1.00 0.00 H HETATM 67 H <1> 1 23.630 5.425 15.665 1.00 0.00 H HETATM 68 H <1> 1 22.548 4.330 14.819 1.00 0.00 H HETATM 69 H <1> 1 22.904 5.927 14.145 1.00 0.00 H HETATM 70 H <1> 1 21.781 6.996 16.124 1.00 0.00 H HETATM 71 H <1> 1 21.420 5.417 16.781 1.00 0.00 H CONECT 1 2 4 39 CONECT 2 1 3 40 CONECT 3 2 6 7 CONECT 3 6 CONECT 4 1 5 18 CONECT 4 5 CONECT 5 4 CONECT 5 4 CONECT 6 3 CONECT 6 3 CONECT 7 3 8 CONECT 8 7 9 41 42 CONECT 9 8 10 11 CONECT 9 10 CONECT 10 9 CONECT 10 9 CONECT 11 9 12 43 CONECT 12 11 13 17 CONECT 12 13 CONECT 13 12 14 38 CONECT 13 12 CONECT 14 13 15 44 CONECT 14 15 CONECT 15 14 16 45 CONECT 15 14 CONECT 16 15 17 46 CONECT 16 17 CONECT 17 12 16 47 CONECT 17 16 CONECT 18 4 19 20 48 CONECT 19 18 30 49 CONECT 20 18 21 50 51 CONECT 21 20 22 25 CONECT 21 22 CONECT 22 21 23 52 CONECT 22 21 CONECT 23 22 24 53 CONECT 24 23 25 26 CONECT 24 25 CONECT 25 21 24 29 CONECT 25 24 CONECT 26 24 27 54 CONECT 26 27 CONECT 27 26 28 55 CONECT 27 26 CONECT 28 27 29 56 CONECT 28 29 CONECT 29 25 28 57 CONECT 29 28 CONECT 30 19 31 32 CONECT 30 31 CONECT 31 30 CONECT 31 30 CONECT 32 30 33 CONECT 33 32 34 35 36 CONECT 34 33 58 59 60 CONECT 35 33 61 62 63 CONECT 36 33 64 65 66 CONECT 37 38 67 68 69 CONECT 38 13 37 70 71 CONECT 39 1 CONECT 40 2 CONECT 41 8 CONECT 42 8 CONECT 43 11 CONECT 44 14 CONECT 45 15 CONECT 46 16 CONECT 47 17 CONECT 48 18 CONECT 49 19 CONECT 50 20 CONECT 51 20 CONECT 52 22 CONECT 53 23 CONECT 54 26 CONECT 55 27 CONECT 56 28 CONECT 57 29 CONECT 58 34 CONECT 59 34 CONECT 60 34 CONECT 61 35 CONECT 62 35 CONECT 63 35 CONECT 64 36 CONECT 65 36 CONECT 66 36 CONECT 67 37 CONECT 68 37 CONECT 69 37 CONECT 70 38 CONECT 71 38 ENDMDL END