REMARK Name = BDB005658 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.795 -1.667 -1.677 0.00 0.00 +0.142 A ATOM 2 N LIG 1 -1.091 -1.198 -0.580 0.00 0.00 -0.317 N ATOM 3 C LIG 1 0.170 -1.776 -0.592 0.00 0.00 +0.110 A ATOM 4 C LIG 1 0.144 -2.590 -1.723 0.00 0.00 +0.095 A ATOM 5 C LIG 1 1.236 -3.384 -2.054 0.00 0.00 +0.065 A ATOM 6 CA LIG 1 2.290 -3.301 -1.171 0.00 0.00 +0.152 A ATOM 7 N LIG 1 2.340 -2.506 -0.062 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 1.296 -1.697 0.243 0.00 0.00 +0.146 A ATOM 9 N LIG 1 -1.045 -2.479 -2.390 0.00 0.00 -0.227 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -6.719 -2.071 -0.855 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.566 -1.506 -1.634 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -4.248 -1.851 -1.307 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -3.169 -1.305 -2.017 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -3.417 -0.430 -3.078 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -4.726 -0.070 -3.401 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -5.795 -0.598 -2.675 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 3.516 -4.120 -1.395 0.00 0.00 +0.355 C ATOM 18 O LIG 1 3.698 -4.879 -2.329 0.00 0.00 -0.243 OA BRANCH 17 19 ATOM 19 OXT LIG 1 4.413 -3.896 -0.402 0.00 0.00 -0.476 OA ATOM 20 HXT LIG 1 4.019 -3.245 0.226 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 1.375 -0.847 1.337 0.00 0.00 -0.325 N ATOM 22 H LIG 1 0.917 0.038 1.149 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.671 -0.661 1.998 0.00 0.00 +0.072 C ATOM 24 C LIG 1 2.386 -0.115 3.399 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 3.580 0.262 1.175 0.00 0.00 +0.009 C ATOM 26 C LIG 1 3.183 1.746 0.920 0.00 0.00 +0.005 C ATOM 27 C LIG 1 4.693 2.064 0.893 0.00 0.00 +0.001 C ATOM 28 C LIG 1 4.901 0.818 1.781 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 29 ATOM 29 C LIG 1 -1.632 -0.315 0.449 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -1.135 1.112 0.365 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.819 1.740 -0.848 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -0.369 3.063 -0.871 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.248 3.799 0.316 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -0.580 3.181 1.528 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.028 1.858 1.551 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 0.269 5.218 0.292 0.00 0.00 +0.417 C ATOM 37 F LIG 1 1.621 5.273 0.438 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -0.012 5.872 -0.869 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.248 5.989 1.289 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9