REMARK Name = BDB034566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.590 -0.306 -0.966 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.764 1.070 -1.069 0.00 0.00 -0.280 N ATOM 3 H LIG 1 -0.049 1.588 -1.563 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -1.417 -1.116 -0.560 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.148 -0.631 -1.517 0.00 0.00 -0.026 A ATOM 6 C LIG 1 3.138 -1.781 -2.317 0.00 0.00 +0.037 A ATOM 7 C LIG 1 1.923 -2.392 -2.654 0.00 0.00 +0.145 A ATOM 8 N LIG 1 0.729 -1.906 -2.220 0.00 0.00 -0.238 NA ATOM 9 C LIG 1 0.744 -0.799 -1.440 0.00 0.00 +0.127 A ATOM 10 C LIG 1 1.911 -0.139 -1.072 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 1.952 -3.660 -3.501 0.00 0.00 +0.434 C ATOM 12 F LIG 1 0.760 -3.978 -4.078 0.00 0.00 -0.164 F ATOM 13 F LIG 1 2.332 -4.757 -2.785 0.00 0.00 -0.164 F ATOM 14 F LIG 1 2.846 -3.572 -4.532 0.00 0.00 -0.164 F ENDBRANCH 7 11 BRANCH 5 16 ATOM 15 C LIG 1 5.697 -0.350 -1.825 0.00 0.00 +0.029 C ATOM 16 C LIG 1 4.426 0.097 -1.085 0.00 0.00 +0.084 C BRANCH 16 17 ATOM 17 N LIG 1 4.517 0.118 0.385 0.00 0.00 -0.295 NA ATOM 18 C LIG 1 5.456 1.118 0.917 0.00 0.00 +0.092 C ATOM 19 C LIG 1 6.659 0.331 1.368 0.00 0.00 -0.015 C ATOM 20 C LIG 1 8.058 0.824 1.062 0.00 0.00 +0.009 C ATOM 21 C LIG 1 7.546 0.871 2.470 0.00 0.00 +0.009 C ATOM 22 C LIG 1 6.352 -1.133 1.298 0.00 0.00 +0.023 C ATOM 23 C LIG 1 4.853 -1.162 1.027 0.00 0.00 +0.085 C ENDBRANCH 16 17 ENDBRANCH 5 16 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 C LIG 1 -1.888 1.818 -0.661 0.00 0.00 +0.034 A ATOM 25 C LIG 1 -2.957 1.279 0.060 0.00 0.00 +0.027 A ATOM 26 C LIG 1 -4.086 2.041 0.448 0.00 0.00 -0.035 A ATOM 27 C LIG 1 -4.085 3.393 0.063 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -3.018 3.955 -0.640 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -1.922 3.171 -0.997 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 -5.318 1.338 1.249 0.00 0.00 +0.049 C ATOM 31 C LIG 1 -6.095 2.210 2.281 0.00 0.00 +0.174 C ATOM 32 O LIG 1 -5.328 1.657 3.380 0.00 0.00 -0.378 OA ATOM 33 C LIG 1 -4.902 0.557 2.538 0.00 0.00 +0.174 C BRANCH 30 34 ATOM 34 C LIG 1 -6.186 0.616 0.203 0.00 0.00 +0.092 C BRANCH 34 35 ATOM 35 C LIG 1 -7.204 -0.331 0.732 0.00 0.00 +0.134 A ATOM 36 N LIG 1 -7.076 -1.697 0.758 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.960 -2.485 0.307 0.00 0.00 +0.151 C ATOM 38 C LIG 1 -8.226 -2.174 1.305 0.00 0.00 +0.224 A ATOM 39 N LIG 1 -9.023 -1.173 1.592 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 -8.383 -0.013 1.226 0.00 0.00 -0.135 NA ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 26 30 ENDBRANCH 2 24 TORSDOF 8