REMARK Name = BDB048921 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.739 -0.446 -1.073 0.00 0.00 -0.017 A ATOM 2 C LIG 1 1.575 0.279 -0.765 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.514 0.368 -1.679 0.00 0.00 -0.030 A ATOM 4 C LIG 1 0.623 -0.290 -2.913 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.772 -1.012 -3.231 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.824 -1.089 -2.317 0.00 0.00 +0.008 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 2.781 -2.596 0.955 0.00 0.00 +0.046 C ATOM 8 C LIG 1 3.861 -1.558 0.857 0.00 0.00 -0.024 A ATOM 9 C LIG 1 3.849 -0.530 -0.105 0.00 0.00 -0.004 A ATOM 10 C LIG 1 4.917 0.417 -0.127 0.00 0.00 +0.009 A ATOM 11 C LIG 1 5.951 0.280 0.830 0.00 0.00 +0.083 A ATOM 12 C LIG 1 7.006 1.193 0.830 0.00 0.00 +0.081 A ATOM 13 C LIG 1 7.052 2.244 -0.106 0.00 0.00 +0.014 A ATOM 14 C LIG 1 6.045 2.388 -1.047 0.00 0.00 +0.001 A ATOM 15 N LIG 1 5.944 -0.706 1.738 0.00 0.00 -0.254 NA ATOM 16 C LIG 1 4.989 1.484 -1.056 0.00 0.00 +0.010 A ATOM 17 C LIG 1 4.925 -1.589 1.741 0.00 0.00 +0.115 A BRANCH 12 18 ATOM 18 C LIG 1 8.105 1.045 1.847 0.00 0.00 +0.419 C ATOM 19 F LIG 1 7.679 1.152 3.137 0.00 0.00 -0.166 F ATOM 20 F LIG 1 9.066 2.014 1.719 0.00 0.00 -0.166 F ATOM 21 F LIG 1 8.787 -0.131 1.754 0.00 0.00 -0.166 F ENDBRANCH 12 18 ENDBRANCH 1 9 BRANCH 3 22 ATOM 22 C LIG 1 -0.741 1.137 -1.335 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 N LIG 1 -1.829 0.194 -1.116 0.00 0.00 -0.339 N ATOM 24 H LIG 1 -1.515 -0.596 -0.558 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.087 0.645 -0.658 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -4.079 -0.306 -0.247 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -5.353 0.138 0.215 0.00 0.00 -0.012 A ATOM 28 C LIG 1 -6.323 -0.817 0.647 0.00 0.00 -0.029 A ATOM 29 C LIG 1 -6.019 -2.188 0.620 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.793 -2.627 0.148 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.608 1.525 0.216 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.670 2.442 -0.245 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -3.846 -1.702 -0.283 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -3.431 2.003 -0.693 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 C LIG 1 -7.700 -0.419 1.142 0.00 0.00 +0.156 C BRANCH 35 36 ATOM 36 C LIG 1 -7.730 0.126 2.556 0.00 0.00 +0.309 C ATOM 37 O LIG 1 -6.804 0.131 3.350 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -8.952 0.617 2.888 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -9.621 0.545 2.182 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 8