REMARK Name = BDB022487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.483 0.825 -1.504 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.383 -0.163 -1.006 0.00 0.00 +0.033 A ATOM 3 C LIG 1 -1.610 0.183 -0.436 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -2.002 1.540 -0.354 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -1.141 2.523 -0.853 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.087 2.169 -1.418 0.00 0.00 +0.010 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.233 0.565 -2.048 0.00 0.00 -0.033 A ATOM 8 C LIG 1 2.979 0.919 -1.518 0.00 0.00 +0.016 A ATOM 9 C LIG 1 1.780 0.461 -2.093 0.00 0.00 +0.018 A ATOM 10 C LIG 1 1.871 -0.353 -3.229 0.00 0.00 +0.131 A ATOM 11 F LIG 1 0.759 -0.807 -3.827 0.00 0.00 -0.205 F ATOM 12 C LIG 1 3.102 -0.699 -3.781 0.00 0.00 +0.039 A ATOM 13 C LIG 1 4.280 -0.239 -3.195 0.00 0.00 +0.008 A BRANCH 7 14 ATOM 14 C LIG 1 5.505 1.063 -1.402 0.00 0.00 +0.119 C BRANCH 14 21 ATOM 15 C LIG 1 6.523 -3.556 -0.883 0.00 0.00 +0.039 C ATOM 16 C LIG 1 5.761 -2.263 -0.622 0.00 0.00 +0.130 C ATOM 17 O LIG 1 5.226 -2.333 0.708 0.00 0.00 -0.371 OA ATOM 18 C LIG 1 4.457 -1.154 0.991 0.00 0.00 +0.130 C ATOM 19 C LIG 1 3.874 -1.304 2.390 0.00 0.00 +0.039 C ATOM 20 C LIG 1 5.345 0.108 0.896 0.00 0.00 +0.116 C ATOM 21 N LIG 1 6.103 0.242 -0.354 0.00 0.00 -0.293 NA ATOM 22 C LIG 1 6.689 -1.037 -0.773 0.00 0.00 +0.116 C ENDBRANCH 14 21 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 N LIG 1 -3.253 1.845 0.235 0.00 0.00 -0.326 N ATOM 24 C LIG 1 -3.103 2.538 1.537 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -4.475 3.045 2.035 0.00 0.00 +0.103 C ATOM 26 N LIG 1 -5.159 3.985 1.117 0.00 0.00 -0.302 NA ATOM 27 C LIG 1 -5.134 5.355 1.621 0.00 0.00 +0.105 C ATOM 28 C LIG 1 -4.599 3.919 -0.250 0.00 0.00 +0.103 C ATOM 29 C LIG 1 -4.218 2.489 -0.694 0.00 0.00 +0.120 C ENDBRANCH 4 23 BRANCH 3 30 ATOM 30 N LIG 1 -2.538 -0.746 0.082 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.375 -0.281 0.430 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.438 -2.112 0.124 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.514 -2.811 -0.271 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.659 -2.758 0.686 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.074 -2.652 2.080 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.187 -3.297 2.485 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.986 -4.104 1.529 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.006 -4.680 1.885 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.505 -4.153 0.245 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -6.039 -4.718 -0.406 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -4.368 -3.507 -0.173 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.233 -1.859 3.030 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.922 -2.191 2.978 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.327 -0.528 2.779 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.621 -2.025 4.323 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 3 30 TORSDOF 7