REMARK Name = BDB037380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.134 1.166 -0.623 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.968 0.799 0.188 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.811 -0.429 0.256 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -2.784 -0.326 1.456 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -3.411 1.087 1.617 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -2.561 2.197 1.436 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -4.572 1.212 2.023 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.317 1.964 0.839 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -0.221 2.812 0.707 0.00 0.00 -0.218 N ATOM 10 N LIG 1 0.564 2.402 -0.328 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -0.863 -1.615 0.401 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.105 -1.696 1.422 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.961 -2.796 1.509 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.848 -3.826 0.584 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.672 -4.881 0.663 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.106 -3.778 -0.424 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.965 -2.682 -0.510 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 0.242 3.855 1.558 0.00 0.00 +0.067 A ATOM 19 C LIG 1 1.236 4.732 1.096 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.730 5.737 1.931 0.00 0.00 +0.002 A ATOM 21 C LIG 1 1.242 5.869 3.228 0.00 0.00 +0.000 A ATOM 22 C LIG 1 0.273 4.988 3.701 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.220 3.974 2.875 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -3.841 -1.350 1.516 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -4.278 -1.442 2.425 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.683 -1.587 0.448 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -4.517 -1.128 -0.675 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.883 -2.417 0.738 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -7.056 -2.168 0.016 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -8.221 -2.912 0.264 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -8.180 -3.931 1.229 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.006 -4.194 1.939 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.857 -3.438 1.695 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -9.479 -2.637 -0.523 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -9.494 -3.287 -1.718 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -10.611 -3.022 0.128 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -9.649 -1.317 -0.809 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -3.193 3.522 1.488 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -3.914 3.857 0.187 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 0.817 0.384 -1.699 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 2.867 -0.939 -1.878 0.00 0.00 +0.241 C ATOM 42 N LIG 1 2.127 0.004 -1.221 0.00 0.00 -0.306 N ATOM 43 H LIG 1 2.541 0.601 -0.516 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 2.446 -1.615 -2.809 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 4.626 -2.365 -1.084 0.00 0.00 +0.019 C ATOM 46 C LIG 1 4.257 -1.097 -1.358 0.00 0.00 +0.024 C BRANCH 46 47 ATOM 47 C LIG 1 5.102 0.155 -1.202 0.00 0.00 +0.088 C ATOM 48 C LIG 1 5.395 0.442 0.279 0.00 0.00 +0.029 C BRANCH 47 49 ATOM 49 N LIG 1 6.314 0.242 -2.033 0.00 0.00 -0.291 NA ATOM 50 C LIG 1 7.492 -0.551 -1.660 0.00 0.00 +0.113 C ATOM 51 C LIG 1 8.001 -1.473 -2.785 0.00 0.00 +0.175 C ATOM 52 O LIG 1 8.287 -0.774 -4.001 0.00 0.00 -0.377 OA ATOM 53 C LIG 1 7.372 0.299 -4.267 0.00 0.00 +0.175 C ATOM 54 C LIG 1 6.052 0.207 -3.482 0.00 0.00 +0.113 C ENDBRANCH 47 49 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11