REMARK Name = BDB023871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.243 -0.446 0.367 0.00 0.00 +0.108 A ATOM 2 C LIG 1 3.071 -1.490 1.277 0.00 0.00 +0.157 A ATOM 3 F LIG 1 4.128 -2.196 1.714 0.00 0.00 -0.203 F ATOM 4 C LIG 1 1.789 -1.838 1.732 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.670 -1.119 1.262 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -0.627 -1.480 1.724 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -0.779 -2.535 2.638 0.00 0.00 +0.011 A ATOM 8 C LIG 1 0.331 -3.239 3.094 0.00 0.00 +0.001 A ATOM 9 C LIG 1 0.945 -0.091 0.345 0.00 0.00 +0.120 A ATOM 10 C LIG 1 1.603 -2.894 2.643 0.00 0.00 +0.011 A ATOM 11 N LIG 1 2.179 0.248 -0.111 0.00 0.00 -0.251 NA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -1.829 -0.783 1.270 0.00 0.00 +0.098 A ATOM 13 C LIG 1 -2.958 -1.326 0.605 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -3.251 -2.715 0.161 0.00 0.00 +0.146 C ATOM 15 N LIG 1 -4.458 -2.740 -0.688 0.00 0.00 -0.297 N ATOM 16 C LIG 1 -5.558 -1.815 -0.334 0.00 0.00 +0.114 C ATOM 17 C LIG 1 -5.114 -0.337 -0.279 0.00 0.00 +0.074 C ATOM 18 C LIG 1 -4.644 -3.897 -1.436 0.00 0.00 +0.213 C ATOM 19 O LIG 1 -3.819 -4.811 -1.457 0.00 0.00 -0.276 OA ATOM 20 C LIG 1 -5.909 -4.001 -2.249 0.00 0.00 +0.109 C ATOM 21 C LIG 1 -3.806 -0.256 0.412 0.00 0.00 +0.046 A ATOM 22 N LIG 1 -3.179 0.838 0.925 0.00 0.00 -0.264 N ATOM 23 N LIG 1 -1.978 0.537 1.462 0.00 0.00 -0.170 NA BRANCH 22 24 ATOM 24 C LIG 1 -3.634 2.226 0.918 0.00 0.00 +0.112 C ATOM 25 C LIG 1 -3.573 2.868 2.314 0.00 0.00 +0.055 C ATOM 26 C LIG 1 -2.364 3.783 2.421 0.00 0.00 +0.162 C ATOM 27 O LIG 1 -2.433 4.858 1.484 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -2.955 4.524 0.199 0.00 0.00 +0.162 C ATOM 29 C LIG 1 -2.865 3.044 -0.129 0.00 0.00 +0.055 C ENDBRANCH 22 24 ENDBRANCH 6 12 BRANCH 1 33 ATOM 30 C LIG 1 6.947 0.841 -1.264 0.00 0.00 +0.125 A ATOM 31 N LIG 1 5.817 0.985 -2.007 0.00 0.00 -0.250 NA ATOM 32 C LIG 1 4.663 0.561 -1.429 0.00 0.00 +0.121 A ATOM 33 C LIG 1 4.553 -0.016 -0.158 0.00 0.00 +0.021 A ATOM 34 C LIG 1 5.753 -0.133 0.562 0.00 0.00 +0.014 A ATOM 35 C LIG 1 6.963 0.294 0.010 0.00 0.00 +0.033 A BRANCH 30 39 ATOM 36 C LIG 1 9.175 2.261 -3.965 0.00 0.00 +0.128 C ATOM 37 N LIG 1 8.063 1.871 -3.144 0.00 0.00 -0.313 N ATOM 38 H LIG 1 7.123 1.825 -3.532 0.00 0.00 +0.149 HD ATOM 39 C LIG 1 8.224 1.307 -1.896 0.00 0.00 +0.262 C ATOM 40 O LIG 1 9.305 1.176 -1.333 0.00 0.00 -0.269 OA ENDBRANCH 30 39 ENDBRANCH 1 33 TORSDOF 4