REMARK Name = BDB008775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.199 -0.875 -0.118 0.00 0.00 +0.163 A ATOM 2 N LIG 1 0.999 -0.419 0.421 0.00 0.00 -0.314 N ATOM 3 C LIG 1 0.006 -1.317 0.077 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.678 -2.303 -0.621 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.108 -3.415 -1.110 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.205 -3.466 -0.823 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.944 -2.558 -0.155 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.366 -1.433 0.301 0.00 0.00 +0.149 A ATOM 9 N LIG 1 2.002 -2.025 -0.744 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.894 -0.096 0.137 0.00 0.00 +0.127 A ATOM 11 C LIG 1 4.717 -0.868 0.138 0.00 0.00 +0.020 A ATOM 12 C LIG 1 4.776 -2.367 0.253 0.00 0.00 +0.050 C ATOM 13 C LIG 1 3.501 -0.190 -0.016 0.00 0.00 +0.113 A ATOM 14 N LIG 1 3.413 1.159 -0.128 0.00 0.00 -0.251 NA ATOM 15 C LIG 1 4.561 1.862 -0.108 0.00 0.00 +0.115 A ATOM 16 C LIG 1 5.811 1.288 0.018 0.00 0.00 +0.065 A BRANCH 10 18 ATOM 17 C LIG 1 8.285 -0.053 0.181 0.00 0.00 +0.277 C ATOM 18 O LIG 1 7.071 -0.789 0.260 0.00 0.00 -0.495 OA ENDBRANCH 10 18 ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 C LIG 1 -1.906 -4.696 -1.333 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -3.089 -4.958 -1.198 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -1.034 -5.515 -1.989 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -0.132 -5.117 -1.986 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.106 -0.467 0.963 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -1.788 0.463 0.712 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.576 -0.517 1.027 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.084 -1.714 1.826 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.244 -0.320 -0.338 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -5.775 -0.032 -0.347 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.819 -0.705 -1.733 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -4.565 -1.496 -1.308 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 0.851 0.700 1.348 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 C LIG 1 0.184 1.922 0.751 0.00 0.00 -0.028 A ATOM 33 C LIG 1 0.346 2.301 -0.589 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -0.285 3.443 -1.090 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.087 4.240 -0.262 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -1.226 3.882 1.085 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.595 2.740 1.585 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 -1.746 5.487 -0.798 0.00 0.00 +0.417 C ATOM 39 F LIG 1 -0.966 6.592 -0.643 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.926 5.772 -0.179 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.033 5.414 -2.127 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10