REMARK Name = BDB022435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.485 1.056 1.330 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.492 0.740 0.387 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.548 -0.273 0.631 0.00 0.00 -0.016 A ATOM 4 C LIG 1 0.615 -0.971 1.846 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.597 -0.667 2.789 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.525 0.341 2.534 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.483 -0.587 -0.358 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -0.174 -1.169 -1.582 0.00 0.00 +0.121 A ATOM 9 N LIG 1 -1.083 -1.472 -2.542 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 -2.380 -1.208 -2.287 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -2.787 -0.602 -1.108 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -1.830 -0.301 -0.135 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 -3.224 -1.546 -3.342 0.00 0.00 -0.267 N ATOM 14 H LIG 1 -2.712 -1.733 -4.194 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 -4.573 -1.606 -3.491 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -5.069 -1.674 -4.614 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 -5.432 -1.670 -2.289 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -6.654 -1.118 -2.308 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -7.603 -1.141 -1.148 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 -7.824 0.206 -0.623 0.00 0.00 -0.296 NA ATOM 21 C LIG 1 -8.630 1.060 -1.519 0.00 0.00 +0.121 C ATOM 22 C LIG 1 -9.377 2.029 -0.601 0.00 0.00 +0.181 C ATOM 23 F LIG 1 -10.716 1.808 -0.728 0.00 0.00 -0.244 F ATOM 24 C LIG 1 -8.958 1.643 0.805 0.00 0.00 +0.053 C ATOM 25 C LIG 1 -8.559 0.186 0.647 0.00 0.00 +0.087 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 3.228 3.372 1.945 0.00 0.00 +0.022 C ATOM 27 C LIG 1 3.484 2.165 1.038 0.00 0.00 +0.102 C BRANCH 27 28 ATOM 28 C LIG 1 4.941 1.685 1.135 0.00 0.00 +0.225 C ATOM 29 N LIG 1 5.227 0.682 0.233 0.00 0.00 -0.268 N ATOM 30 H LIG 1 4.504 0.290 -0.352 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 5.743 2.188 1.918 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 6.446 0.076 0.065 0.00 0.00 +0.147 A ATOM 33 N LIG 1 6.562 -0.874 -0.870 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 7.851 -1.249 -0.792 0.00 0.00 -0.280 N ATOM 35 H LIG 1 8.191 -1.965 -1.425 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 8.547 -0.586 0.172 0.00 0.00 +0.041 A ATOM 37 C LIG 1 7.666 0.297 0.743 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 10.038 -0.772 0.526 0.00 0.00 +0.037 C ATOM 39 C LIG 1 10.406 -1.179 1.927 0.00 0.00 +0.010 C ATOM 40 C LIG 1 10.556 -2.158 0.801 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9