REMARK Name = BDB030484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.258 -0.887 -1.666 0.00 0.00 +0.159 A ATOM 2 C LIG 1 -0.892 -0.444 -1.022 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -1.291 0.832 -1.161 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -1.585 -1.340 -0.212 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -1.143 -2.608 -0.058 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -0.033 -2.948 -0.727 0.00 0.00 +0.225 A ATOM 7 N LIG 1 0.688 -2.155 -1.531 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 0.928 -0.009 -2.538 0.00 0.00 -0.326 N ATOM 9 H LIG 1 0.912 0.939 -2.169 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 2.233 -0.428 -3.044 0.00 0.00 +0.109 C BRANCH 10 15 ATOM 11 N LIG 1 5.602 0.278 -0.483 0.00 0.00 -0.291 NA ATOM 12 C LIG 1 5.759 -0.836 -1.449 0.00 0.00 +0.122 C ATOM 13 C LIG 1 4.630 -0.936 -2.493 0.00 0.00 +0.185 C ATOM 14 F LIG 1 5.022 -0.267 -3.618 0.00 0.00 -0.244 F ATOM 15 C LIG 1 3.338 -0.302 -1.985 0.00 0.00 +0.042 C ATOM 16 C LIG 1 3.587 1.168 -1.584 0.00 0.00 +0.023 C ATOM 17 C LIG 1 5.036 1.450 -1.163 0.00 0.00 +0.085 C BRANCH 11 18 ATOM 18 C LIG 1 6.916 0.591 0.136 0.00 0.00 +0.180 C BRANCH 18 22 ATOM 19 N LIG 1 5.644 1.113 2.156 0.00 0.00 -0.328 N ATOM 20 H LIG 1 4.891 0.628 1.679 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 5.418 1.727 2.925 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 6.740 1.434 1.403 0.00 0.00 +0.225 C ATOM 23 O LIG 1 7.534 2.296 1.763 0.00 0.00 -0.275 OA ENDBRANCH 18 22 ENDBRANCH 11 18 ENDBRANCH 10 15 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 24 ATOM 24 N LIG 1 -2.748 -0.919 0.503 0.00 0.00 -0.304 N BRANCH 24 25 ATOM 25 C LIG 1 -3.133 -1.768 1.657 0.00 0.00 +0.075 C ATOM 26 C LIG 1 -2.293 -1.783 2.909 0.00 0.00 +0.024 C ATOM 27 C LIG 1 -3.652 -1.154 2.930 0.00 0.00 +0.024 C ENDBRANCH 24 25 BRANCH 24 28 ATOM 28 C LIG 1 -3.840 -0.596 -0.444 0.00 0.00 +0.162 C BRANCH 28 29 ATOM 29 C LIG 1 -4.952 0.224 0.191 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -4.783 1.570 0.265 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -5.764 2.301 0.840 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -6.934 1.761 1.351 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -7.102 0.378 1.254 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -6.103 -0.400 0.671 0.00 0.00 +0.025 A BRANCH 32 35 ATOM 35 C LIG 1 -7.965 2.662 1.954 0.00 0.00 +0.419 C ATOM 36 F LIG 1 -7.435 3.563 2.826 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.628 3.394 1.017 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -8.926 1.993 2.651 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 24 28 ENDBRANCH 4 24 TORSDOF 10