REMARK Name = BDB024420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.402 -2.068 1.139 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.555 -3.325 0.292 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.693 -3.258 -1.105 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.829 -4.423 -1.863 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.840 -5.667 -1.236 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.726 -5.748 0.150 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.589 -4.586 0.910 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.941 -1.497 0.750 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.080 -2.423 1.129 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.364 -1.094 0.510 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.717 -0.109 -0.135 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.418 0.579 -0.261 0.00 0.00 +0.003 A ATOM 13 C LIG 1 3.144 1.112 -0.415 0.00 0.00 +0.121 A ATOM 14 N LIG 1 1.994 0.466 -0.096 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 2.087 -0.781 0.391 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.317 -1.401 0.585 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.490 -0.715 0.254 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 7.604 4.257 -1.268 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.013 2.958 -1.055 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.769 1.856 -1.196 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.921 0.859 -0.932 0.00 0.00 +0.143 A ATOM 22 C LIG 1 5.618 1.314 -0.618 0.00 0.00 +0.021 A ATOM 23 C LIG 1 5.721 2.688 -0.706 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.720 -1.427 1.326 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.930 -0.892 0.479 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.811 -0.564 2.506 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -2.596 0.942 2.265 0.00 0.00 +0.052 C BRANCH 27 28 ATOM 28 C LIG 1 -3.593 1.570 1.326 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.936 1.688 1.666 0.00 0.00 +0.115 A ATOM 30 N LIG 1 -5.877 2.246 0.871 0.00 0.00 -0.251 NA ATOM 31 C LIG 1 -5.482 2.712 -0.348 0.00 0.00 +0.144 A ATOM 32 C LIG 1 -4.152 2.639 -0.764 0.00 0.00 +0.032 A ATOM 33 C LIG 1 -3.205 2.065 0.081 0.00 0.00 +0.007 A BRANCH 31 34 ATOM 34 C LIG 1 -6.504 3.359 -1.273 0.00 0.00 +0.434 C ATOM 35 F LIG 1 -6.395 2.922 -2.564 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -6.362 4.716 -1.340 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -7.803 3.139 -0.923 0.00 0.00 -0.164 F ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9