REMARK Name = BDB038603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.188 -0.806 -0.069 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.265 -1.901 0.708 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.462 -2.476 0.975 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.636 -1.943 0.457 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.596 -0.786 -0.323 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.340 -0.229 -0.597 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.525 1.000 -0.788 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.711 0.064 -0.136 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.346 0.130 -0.354 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.283 -0.719 0.200 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.919 -0.246 -0.330 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.712 0.887 -1.212 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.532 -1.623 0.975 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 0.764 1.081 -1.185 0.00 0.00 -0.018 A ATOM 15 C LIG 1 1.548 2.016 -1.835 0.00 0.00 +0.006 A ATOM 16 C LIG 1 2.932 1.972 -1.631 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.028 0.986 -0.578 0.00 0.00 +0.119 C BRANCH 17 19 ATOM 18 C LIG 1 5.603 -0.455 -2.447 0.00 0.00 +0.105 C ATOM 19 N LIG 1 5.785 0.856 -1.825 0.00 0.00 -0.298 NA BRANCH 19 20 ATOM 20 C LIG 1 7.207 1.240 -1.695 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 8.101 0.459 -0.695 0.00 0.00 +0.079 C ATOM 22 C LIG 1 9.567 1.009 -0.685 0.00 0.00 +0.036 C ATOM 23 C LIG 1 9.205 1.853 0.546 0.00 0.00 +0.006 C ATOM 24 C LIG 1 8.044 0.881 0.810 0.00 0.00 +0.036 C BRANCH 21 25 ATOM 25 O LIG 1 8.030 -0.967 -0.933 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 8.629 -1.375 -0.285 0.00 0.00 +0.210 HD ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 -5.833 -0.157 -0.830 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.903 0.242 0.014 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -8.065 0.798 -0.546 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -8.161 0.986 -1.918 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -9.269 1.529 -2.435 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -7.124 0.617 -2.761 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -5.971 0.045 -2.221 0.00 0.00 +0.012 A BRANCH 28 34 ATOM 34 C LIG 1 -6.881 0.068 1.467 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -6.033 0.676 2.360 0.00 0.00 -0.317 N ATOM 36 C LIG 1 -5.014 1.658 2.108 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -6.364 0.196 3.591 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -7.372 -0.633 3.482 0.00 0.00 -0.138 NA ATOM 39 N LIG 1 -7.707 -0.703 2.151 0.00 0.00 -0.129 NA ENDBRANCH 28 34 ENDBRANCH 5 27 BRANCH 3 40 ATOM 40 C LIG 1 -3.490 -3.710 1.843 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -2.726 -3.725 3.148 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.225 -3.694 3.165 0.00 0.00 +0.010 C ENDBRANCH 3 40 TORSDOF 9