REMARK Name = BDB007360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.514 -0.413 -0.298 0.00 0.00 +0.150 C ATOM 2 C LIG 1 -0.335 0.887 -0.299 0.00 0.00 +0.066 C ATOM 3 C LIG 1 -1.793 0.404 -0.569 0.00 0.00 +0.098 C ATOM 4 C LIG 1 -2.933 1.168 0.086 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -3.648 1.868 -0.888 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.740 2.663 -0.602 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -5.138 2.740 0.733 0.00 0.00 +0.078 A ATOM 8 C LIG 1 -4.454 2.018 1.722 0.00 0.00 +0.142 A ATOM 9 F LIG 1 -4.853 2.076 3.002 0.00 0.00 -0.204 F ATOM 10 CL LIG 1 -6.494 3.718 1.148 0.00 0.00 -0.081 Cl ATOM 11 N LIG 1 -3.133 1.594 -2.140 0.00 0.00 -0.284 N ATOM 12 H LIG 1 -3.507 1.919 -3.021 0.00 0.00 +0.155 HD ATOM 13 C LIG 1 -3.354 1.217 1.407 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -2.093 0.679 -2.074 0.00 0.00 +0.230 C ATOM 15 O LIG 1 -1.523 0.215 -3.046 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 -1.754 -1.097 -0.230 0.00 0.00 +0.075 C ATOM 17 N LIG 1 -0.407 -1.538 -0.622 0.00 0.00 -0.301 NA ATOM 18 H LIG 1 -0.374 -1.653 -1.649 0.00 0.00 +0.123 HD ENDROOT BRANCH 1 25 ATOM 19 C LIG 1 7.997 -0.341 -0.415 0.00 0.00 +0.109 C ATOM 20 C LIG 1 6.960 0.508 0.277 0.00 0.00 +0.213 C ATOM 21 N LIG 1 5.675 0.473 -0.238 0.00 0.00 -0.299 N ATOM 22 C LIG 1 4.623 1.247 0.423 0.00 0.00 +0.126 C ATOM 23 C LIG 1 3.256 0.553 0.346 0.00 0.00 +0.127 C ATOM 24 N LIG 1 2.873 0.160 -1.016 0.00 0.00 -0.297 N ATOM 25 C LIG 1 1.637 -0.362 -1.368 0.00 0.00 +0.233 C ATOM 26 O LIG 1 1.416 -0.769 -2.513 0.00 0.00 -0.274 OA ATOM 27 C LIG 1 3.942 0.185 -2.022 0.00 0.00 +0.127 C ATOM 28 C LIG 1 5.291 -0.267 -1.446 0.00 0.00 +0.126 C ATOM 29 O LIG 1 7.266 1.198 1.249 0.00 0.00 -0.276 OA ENDBRANCH 1 25 BRANCH 2 30 ATOM 30 C LIG 1 -0.148 1.746 0.947 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -0.087 1.205 2.242 0.00 0.00 +0.024 A ATOM 32 C LIG 1 0.074 2.038 3.352 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 0.141 1.350 4.927 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 0.173 3.416 3.194 0.00 0.00 +0.020 A ATOM 35 C LIG 1 0.107 3.969 1.917 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -0.055 3.141 0.803 0.00 0.00 +0.004 A ENDBRANCH 2 30 BRANCH 16 37 ATOM 37 C LIG 1 -2.873 -1.941 -0.878 0.00 0.00 +0.026 C BRANCH 37 38 ATOM 38 C LIG 1 -3.105 -3.379 -0.324 0.00 0.00 -0.036 C ATOM 39 C LIG 1 -3.507 -3.341 1.160 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -1.871 -4.279 -0.489 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.267 -4.007 -1.122 0.00 0.00 +0.010 C ENDBRANCH 37 38 ENDBRANCH 16 37 TORSDOF 4