REMARK Name = BDB018603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.402 -0.458 0.149 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.088 0.876 0.397 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.693 1.571 -0.443 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.574 1.515 1.534 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.406 0.824 2.418 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.770 -0.507 2.164 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.251 -1.146 1.027 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -4.942 -0.431 -0.375 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -3.665 -0.043 -1.129 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -3.783 -0.239 -2.566 0.00 0.00 -0.303 N ATOM 11 C LIG 1 -2.941 -1.030 -3.311 0.00 0.00 +0.152 A ATOM 12 N LIG 1 -3.364 -1.050 -4.558 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -4.409 -0.164 -4.658 0.00 0.00 -0.126 NA ATOM 14 C LIG 1 -1.737 -1.688 -2.744 0.00 0.00 +0.184 C ATOM 15 N LIG 1 -1.385 -1.050 -1.476 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.055 -1.147 -1.075 0.00 0.00 +0.250 C ATOM 17 O LIG 1 0.785 -1.796 -1.697 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -4.599 0.382 -3.471 0.00 0.00 +0.200 A ATOM 19 C LIG 1 -2.500 -0.874 -0.543 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 -5.492 1.465 -3.238 0.00 0.00 +0.176 A ATOM 21 N LIG 1 -6.309 1.957 -4.224 0.00 0.00 -0.342 N ATOM 22 H LIG 1 -6.340 1.599 -5.170 0.00 0.00 +0.167 HD ATOM 23 C LIG 1 -7.022 2.998 -3.698 0.00 0.00 +0.104 A ATOM 24 C LIG 1 -6.589 3.101 -2.398 0.00 0.00 +0.130 A ATOM 25 N LIG 1 -5.637 2.151 -2.122 0.00 0.00 -0.233 NA ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 2.682 -1.258 3.108 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 3.976 -0.516 3.420 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.085 -0.501 2.431 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.236 0.203 2.779 0.00 0.00 +0.050 A ATOM 30 C LIG 1 7.327 0.269 1.904 0.00 0.00 +0.014 A ATOM 31 C LIG 1 7.263 -0.373 0.669 0.00 0.00 +0.001 A ATOM 32 C LIG 1 6.115 -1.078 0.313 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.297 0.880 4.084 0.00 0.00 +0.272 A ATOM 34 O LIG 1 7.291 1.507 4.435 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 5.182 0.767 4.877 0.00 0.00 -0.242 N ATOM 36 H LIG 1 5.209 1.226 5.782 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 5.027 -1.145 1.190 0.00 0.00 +0.010 A ATOM 38 N LIG 1 4.044 0.091 4.569 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4