REMARK Name = BDB010277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.941 -1.385 0.164 0.00 0.00 +0.130 A ATOM 2 N LIG 1 -0.682 -0.891 -0.153 0.00 0.00 -0.318 N ATOM 3 C LIG 1 0.169 -1.202 0.888 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.656 -1.771 1.840 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.251 -2.166 3.055 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.053 -1.933 3.258 0.00 0.00 +0.242 A ATOM 7 N LIG 1 1.939 -1.405 2.382 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.523 -1.035 1.156 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.931 -1.902 1.380 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 11 ATOM 10 N LIG 1 -3.654 0.060 -0.829 0.00 0.00 -0.293 NA ATOM 11 C LIG 1 -3.155 -1.321 -0.758 0.00 0.00 +0.123 C ATOM 12 C LIG 1 -4.226 -2.356 -0.350 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -5.062 -1.934 0.855 0.00 0.00 +0.003 C ATOM 14 C LIG 1 -5.607 -0.528 0.664 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -4.499 0.457 0.299 0.00 0.00 +0.085 C BRANCH 10 17 ATOM 16 C LIG 1 -5.303 -0.135 -2.778 0.00 0.00 +0.020 C ATOM 17 C LIG 1 -4.091 0.529 -2.142 0.00 0.00 +0.082 C ENDBRANCH 10 17 ENDBRANCH 1 11 BRANCH 6 18 ATOM 18 C LIG 1 1.624 -2.318 4.598 0.00 0.00 +0.375 C ATOM 19 O LIG 1 2.788 -2.213 4.954 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 0.706 -2.827 5.453 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 1.217 -3.022 6.264 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 2.422 -0.535 0.216 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.331 -1.054 -0.649 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.818 -0.359 0.639 0.00 0.00 +0.072 C ATOM 25 C LIG 1 3.942 0.950 1.428 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 4.716 -0.269 -0.612 0.00 0.00 +0.009 C ATOM 27 C LIG 1 4.877 -1.576 -1.442 0.00 0.00 +0.005 C ATOM 28 C LIG 1 6.182 -1.845 -0.673 0.00 0.00 +0.001 C ATOM 29 C LIG 1 6.254 -0.334 -0.387 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 -0.320 -0.163 -1.364 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 0.014 1.293 -1.129 0.00 0.00 -0.028 A ATOM 32 C LIG 1 1.108 1.867 -1.795 0.00 0.00 +0.006 A ATOM 33 C LIG 1 1.429 3.216 -1.615 0.00 0.00 +0.013 A ATOM 34 C LIG 1 0.649 4.029 -0.781 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -0.451 3.462 -0.125 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.770 2.113 -0.305 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 1.012 5.477 -0.567 0.00 0.00 +0.417 C ATOM 38 F LIG 1 1.918 5.644 0.436 0.00 0.00 -0.166 F ATOM 39 F LIG 1 1.568 6.054 -1.670 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.056 6.257 -0.242 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 10