REMARK Name = BDB038386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.734 0.761 -1.192 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.005 1.433 -0.231 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.341 2.077 0.741 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.416 1.269 -0.599 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.538 1.732 0.063 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.792 1.438 -0.489 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.869 0.681 -1.684 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.715 0.218 -2.347 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.485 0.531 -1.777 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.101 0.184 -2.229 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.346 0.860 -0.343 0.00 0.00 -0.012 A ATOM 12 C LIG 1 -2.962 1.029 -0.227 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -2.130 0.614 -1.256 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -2.626 0.034 -2.375 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 -3.964 -0.121 -2.518 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -4.842 0.296 -1.520 0.00 0.00 +0.032 A BRANCH 11 18 ATOM 17 C LIG 1 -5.292 0.622 2.001 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -5.257 1.272 0.742 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -6.117 2.369 0.528 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -6.980 2.816 1.531 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -6.986 2.175 2.759 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -7.815 2.605 3.719 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -6.152 1.091 3.005 0.00 0.00 +0.050 A BRANCH 17 26 ATOM 24 C LIG 1 -5.810 -2.326 1.149 0.00 0.00 +0.152 C ATOM 25 N LIG 1 -4.692 -1.829 1.907 0.00 0.00 -0.317 N ATOM 26 C LIG 1 -4.453 -0.537 2.306 0.00 0.00 +0.164 A ATOM 27 N LIG 1 -3.356 -0.531 3.041 0.00 0.00 -0.129 NA ATOM 28 N LIG 1 -2.860 -1.814 3.095 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -3.675 -2.580 2.411 0.00 0.00 +0.225 A ENDBRANCH 17 26 ENDBRANCH 11 18 BRANCH 15 30 ATOM 30 C LIG 1 -4.486 -0.745 -3.790 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -3.806 -1.966 -4.368 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -5.164 -2.096 -3.747 0.00 0.00 +0.010 C ENDBRANCH 15 30 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 2.800 -0.604 -3.603 0.00 0.00 +0.418 C ATOM 34 F LIG 1 4.063 -0.735 -4.091 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.330 -1.868 -3.423 0.00 0.00 -0.166 F ATOM 36 F LIG 1 2.060 -0.077 -4.619 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 6 37 ATOM 37 C LIG 1 5.055 1.897 0.203 0.00 0.00 +0.116 C BRANCH 37 38 ATOM 38 N LIG 1 5.750 0.758 0.804 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 5.095 0.274 1.418 0.00 0.00 +0.122 HD BRANCH 38 40 ATOM 40 C LIG 1 6.907 1.210 1.588 0.00 0.00 +0.116 C BRANCH 40 41 ATOM 41 C LIG 1 7.813 0.066 2.087 0.00 0.00 +0.078 C ATOM 42 C LIG 1 8.369 -0.891 0.986 0.00 0.00 +0.036 C ATOM 43 C LIG 1 8.207 -2.046 1.991 0.00 0.00 +0.006 C ATOM 44 C LIG 1 7.143 -1.200 2.715 0.00 0.00 +0.036 C BRANCH 41 45 ATOM 45 O LIG 1 8.852 0.647 2.924 0.00 0.00 -0.387 OA ATOM 46 H LIG 1 8.397 0.918 3.741 0.00 0.00 +0.210 HD ENDBRANCH 41 45 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 10