REMARK Name = BDB019908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.131 -0.580 1.092 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.154 0.495 0.195 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.370 1.093 -0.171 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.557 0.602 0.396 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.556 -0.485 1.287 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.326 -1.054 1.645 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.401 2.207 -1.127 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.952 2.096 -2.420 0.00 0.00 -0.037 A ATOM 9 C LIG 1 -2.568 0.819 -2.925 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.949 3.224 -3.251 0.00 0.00 +0.063 A ATOM 11 C LIG 1 -1.387 4.401 -2.787 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -1.383 5.469 -3.598 0.00 0.00 -0.184 F ATOM 13 N LIG 1 -0.837 4.543 -1.567 0.00 0.00 -0.227 NA ATOM 14 C LIG 1 -0.864 3.450 -0.771 0.00 0.00 +0.122 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.146 -1.255 0.569 0.00 0.00 -0.304 N ATOM 16 H LIG 1 1.986 -0.915 -0.367 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 1.143 -1.225 1.509 0.00 0.00 +0.245 C ATOM 18 O LIG 1 1.236 -1.715 2.628 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.472 -1.756 0.876 0.00 0.00 +0.107 C BRANCH 19 26 ATOM 20 C LIG 1 5.206 3.030 0.721 0.00 0.00 +0.047 C ATOM 21 C LIG 1 5.219 1.656 1.316 0.00 0.00 -0.015 A ATOM 22 C LIG 1 6.125 1.335 2.327 0.00 0.00 +0.126 A ATOM 23 F LIG 1 6.973 2.268 2.785 0.00 0.00 -0.205 F ATOM 24 C LIG 1 6.173 0.059 2.875 0.00 0.00 +0.039 A ATOM 25 C LIG 1 5.307 -0.928 2.404 0.00 0.00 +0.008 A ATOM 26 C LIG 1 4.389 -0.648 1.376 0.00 0.00 -0.027 A ATOM 27 C LIG 1 4.362 0.654 0.838 0.00 0.00 +0.011 A ENDBRANCH 19 26 BRANCH 19 28 ATOM 28 C LIG 1 3.982 -2.503 -0.336 0.00 0.00 +0.014 C ATOM 29 C LIG 1 4.377 -1.824 -1.629 0.00 0.00 +0.006 C ATOM 30 C LIG 1 5.423 -2.514 -0.797 0.00 0.00 +0.006 C ENDBRANCH 19 28 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 31 ATOM 31 C LIG 1 -3.839 -1.017 1.892 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -4.948 -1.001 0.958 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -5.045 -1.777 -0.206 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -4.196 -2.590 -0.724 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -3.353 -2.606 -0.151 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -6.313 -1.479 -0.710 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -6.890 -2.160 -1.842 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -6.971 -0.609 0.144 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -6.142 -0.313 1.154 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 7