REMARK Name = BDB016698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.519 -1.234 -2.161 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.464 0.173 -2.179 0.00 0.00 +0.031 A ATOM 3 C LIG 1 3.228 0.801 -1.988 0.00 0.00 +0.067 A ATOM 4 C LIG 1 2.041 0.104 -1.802 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.040 1.113 -1.651 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.572 2.342 -1.736 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.084 -1.302 -1.807 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.879 2.121 -1.937 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.491 2.923 -2.032 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.319 -1.944 -1.990 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.353 0.087 1.931 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.028 -0.739 0.845 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.984 -1.002 -0.124 0.00 0.00 -0.007 A ATOM 14 C LIG 1 6.984 -1.823 -1.383 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.835 -1.951 -2.362 0.00 0.00 +0.040 C ATOM 16 C LIG 1 8.395 -1.690 -1.907 0.00 0.00 +0.228 C ATOM 17 N LIG 1 9.075 -0.857 -1.036 0.00 0.00 -0.284 N ATOM 18 H LIG 1 10.046 -0.614 -1.162 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.829 -2.224 -2.913 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.229 -3.117 -1.479 0.00 0.00 +0.031 C ATOM 21 C LIG 1 8.263 -0.446 0.022 0.00 0.00 +0.038 A ATOM 22 C LIG 1 8.620 0.368 1.076 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.644 0.636 2.041 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.579 1.136 3.924 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.328 0.279 2.818 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.355 0.853 -1.437 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.297 1.801 -1.288 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.720 1.518 -1.058 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -3.432 2.318 -0.157 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.793 2.095 0.073 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.471 1.073 -0.603 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -4.761 0.285 -1.519 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.400 0.508 -1.748 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 -6.948 0.836 -0.363 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -7.248 -0.520 0.119 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 -8.673 -0.855 0.005 0.00 0.00 +0.112 C ATOM 37 C LIG 1 -9.711 0.131 0.576 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -9.373 0.784 1.797 0.00 0.00 -0.378 OA ATOM 39 C LIG 1 -8.771 -0.048 2.779 0.00 0.00 +0.161 C ATOM 40 C LIG 1 -7.257 -0.005 2.637 0.00 0.00 +0.043 C ATOM 41 C LIG 1 -6.719 -0.815 1.456 0.00 0.00 +0.087 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6