REMARK Name = BDB037427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.432 1.922 -2.099 0.00 0.00 -0.254 N ATOM 2 C LIG 1 0.274 1.141 -2.154 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.140 -0.115 -1.599 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.038 -0.645 -2.175 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -1.631 0.260 -2.974 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 1.153 -0.700 -0.685 0.00 0.00 +0.083 C ATOM 7 C LIG 1 2.534 -0.106 -1.028 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -0.988 1.424 -2.673 0.00 0.00 -0.218 N ATOM 9 C LIG 1 2.525 1.406 -1.381 0.00 0.00 +0.242 C ATOM 10 O LIG 1 3.518 2.097 -1.117 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.621 -0.437 0.723 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.079 -1.511 1.453 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.431 -1.322 2.739 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.400 -0.057 3.308 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.888 0.128 4.544 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.127 1.024 2.616 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.640 0.834 1.330 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -1.714 2.646 -2.714 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.831 2.759 -3.554 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.580 3.939 -3.568 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.233 4.997 -2.730 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.143 4.876 -1.866 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -1.389 3.702 -1.850 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 3.564 -0.347 -0.013 0.00 0.00 -0.299 N ATOM 25 H LIG 1 4.147 0.451 0.219 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 4.016 -1.618 0.257 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.557 -2.620 -0.281 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.131 -1.738 1.238 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.947 -2.878 1.187 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.995 -3.053 2.106 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.215 -2.064 3.079 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.399 -0.932 3.139 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.353 -0.772 2.228 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.883 -4.271 2.028 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.210 -5.402 1.684 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.507 -4.554 3.207 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.874 -4.129 1.105 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 2.551 2.866 -4.096 0.00 0.00 +0.025 C ATOM 39 C LIG 1 1.669 3.138 -2.880 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -1.653 -1.992 -1.982 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -2.841 -1.822 -1.177 0.00 0.00 -0.306 N ATOM 42 H LIG 1 -3.363 -0.969 -1.344 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -3.100 -2.579 -0.075 0.00 0.00 +0.241 C ATOM 44 O LIG 1 -2.437 -3.547 0.280 0.00 0.00 -0.271 OA BRANCH 43 45 ATOM 45 C LIG 1 -4.338 -2.214 0.644 0.00 0.00 +0.024 C ATOM 46 C LIG 1 -5.263 -3.320 1.046 0.00 0.00 +0.041 C ATOM 47 C LIG 1 -6.178 -2.647 2.064 0.00 0.00 +0.010 C ATOM 48 C LIG 1 -6.096 -1.148 1.768 0.00 0.00 +0.043 C ATOM 49 C LIG 1 -4.787 -1.013 1.050 0.00 0.00 +0.045 C BRANCH 49 50 ATOM 50 C LIG 1 -4.122 0.293 0.893 0.00 0.00 +0.335 C ATOM 51 O LIG 1 -3.048 0.474 0.344 0.00 0.00 -0.245 OA BRANCH 50 52 ATOM 52 O LIG 1 -4.896 1.262 1.435 0.00 0.00 -0.465 OA ATOM 53 C LIG 1 -4.337 2.570 1.325 0.00 0.00 +0.280 C ENDBRANCH 50 52 ENDBRANCH 49 50 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 11