REMARK Name = BDB007886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.025 0.544 1.690 0.00 0.00 -0.266 N ATOM 2 N LIG 1 0.430 1.582 1.074 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 -0.783 1.111 0.713 0.00 0.00 +0.177 A ATOM 4 C LIG 1 -0.978 -0.227 1.180 0.00 0.00 +0.086 A ATOM 5 C LIG 1 0.219 -0.549 1.792 0.00 0.00 +0.122 A ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -1.753 1.931 -0.092 0.00 0.00 +0.437 C ATOM 7 F LIG 1 -2.059 1.336 -1.276 0.00 0.00 -0.164 F ATOM 8 F LIG 1 -1.315 3.183 -0.383 0.00 0.00 -0.164 F ATOM 9 F LIG 1 -2.933 2.080 0.576 0.00 0.00 -0.164 F ENDBRANCH 3 6 BRANCH 4 10 ATOM 10 C LIG 1 -2.102 -1.143 1.050 0.00 0.00 +0.248 C ATOM 11 N LIG 1 -3.332 -0.562 0.858 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -3.470 0.420 1.064 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 -1.956 -2.358 1.142 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 -4.519 -1.381 0.794 0.00 0.00 +0.140 C BRANCH 14 15 ATOM 15 C LIG 1 -5.710 -0.560 0.364 0.00 0.00 -0.025 A ATOM 16 C LIG 1 -5.956 -0.245 -0.989 0.00 0.00 -0.010 A ATOM 17 C LIG 1 -5.061 -0.742 -2.091 0.00 0.00 +0.047 C ATOM 18 C LIG 1 -7.073 0.542 -1.310 0.00 0.00 +0.131 A ATOM 19 F LIG 1 -7.310 0.842 -2.598 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -7.948 1.029 -0.333 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -7.674 0.735 1.007 0.00 0.00 +0.008 A ATOM 22 C LIG 1 -6.572 -0.051 1.351 0.00 0.00 +0.006 A BRANCH 20 23 ATOM 23 C LIG 1 -9.111 1.902 -0.722 0.00 0.00 +0.116 C BRANCH 23 24 ATOM 24 N LIG 1 -10.341 1.534 -0.023 0.00 0.00 -0.326 NA ATOM 25 H LIG 1 -10.584 0.578 -0.281 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 -11.100 2.119 -0.370 0.00 0.00 +0.119 HD ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 4 10 BRANCH 1 27 ATOM 27 C LIG 1 2.381 0.677 2.210 0.00 0.00 +0.178 C BRANCH 27 31 ATOM 28 C LIG 1 5.264 -1.167 -0.442 0.00 0.00 -0.026 A ATOM 29 C LIG 1 4.878 -1.807 0.744 0.00 0.00 +0.006 A ATOM 30 C LIG 1 3.950 -1.212 1.602 0.00 0.00 +0.006 A ATOM 31 C LIG 1 3.390 0.035 1.293 0.00 0.00 -0.026 A ATOM 32 C LIG 1 3.773 0.673 0.105 0.00 0.00 +0.006 A ATOM 33 C LIG 1 4.701 0.079 -0.752 0.00 0.00 +0.006 A BRANCH 28 34 ATOM 34 C LIG 1 6.263 -1.807 -1.375 0.00 0.00 +0.178 C BRANCH 34 38 ATOM 35 C LIG 1 10.796 0.044 -0.246 0.00 0.00 +0.047 C ATOM 36 C LIG 1 9.518 -0.288 -0.912 0.00 0.00 -0.013 A ATOM 37 C LIG 1 8.500 -1.093 -0.446 0.00 0.00 +0.112 A ATOM 38 N LIG 1 7.524 -1.078 -1.404 0.00 0.00 -0.267 N ATOM 39 N LIG 1 7.851 -0.332 -2.479 0.00 0.00 -0.179 NA ATOM 40 C LIG 1 9.054 0.155 -2.171 0.00 0.00 +0.137 A ENDBRANCH 34 38 ENDBRANCH 28 34 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 10