REMARK Name = BDB045105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.220 0.613 -0.322 0.00 0.00 +0.091 C ATOM 2 C LIG 1 2.357 -0.624 0.012 0.00 0.00 +0.187 C ATOM 3 C LIG 1 1.395 -0.894 -1.195 0.00 0.00 +0.174 C ATOM 4 N LIG 1 0.124 -1.506 -0.768 0.00 0.00 -0.307 N ATOM 5 C LIG 1 -0.969 -0.766 -0.391 0.00 0.00 +0.077 A ATOM 6 C LIG 1 -2.003 -1.595 -0.015 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -3.189 -0.972 0.408 0.00 0.00 -0.008 A ATOM 8 C LIG 1 -4.469 -1.601 0.873 0.00 0.00 +0.141 C ATOM 9 N LIG 1 -5.291 -0.468 1.190 0.00 0.00 -0.307 N ATOM 10 H LIG 1 -6.240 -0.504 1.537 0.00 0.00 +0.149 HD ATOM 11 C LIG 1 -4.663 0.741 0.981 0.00 0.00 +0.245 C ATOM 12 O LIG 1 -5.170 1.825 1.185 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.311 0.450 0.480 0.00 0.00 +0.052 A ATOM 14 C LIG 1 -2.301 1.362 0.138 0.00 0.00 +0.022 A ATOM 15 C LIG 1 -2.084 2.774 0.109 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -0.786 2.994 -0.381 0.00 0.00 +0.052 A ATOM 17 N LIG 1 -0.230 1.750 -0.648 0.00 0.00 -0.311 N ATOM 18 C LIG 1 1.059 1.542 -1.298 0.00 0.00 +0.224 C ATOM 19 C LIG 1 -0.259 4.289 -0.541 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -1.059 5.379 -0.194 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.345 5.191 0.295 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -2.864 3.901 0.448 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -1.517 -2.925 -0.143 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -2.097 -4.189 0.108 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -1.337 -5.349 -0.037 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -0.005 -5.266 -0.414 0.00 0.00 +0.002 A ATOM 27 C LIG 1 0.595 -4.029 -0.672 0.00 0.00 +0.026 A ATOM 28 C LIG 1 -1.127 0.783 -0.314 0.00 0.00 +0.077 A ATOM 29 C LIG 1 -0.173 -2.853 -0.560 0.00 0.00 +0.053 A ATOM 30 C LIG 1 2.137 -1.730 -2.264 0.00 0.00 +0.069 C ATOM 31 O LIG 1 1.091 0.289 -1.976 0.00 0.00 -0.328 OA ATOM 32 C LIG 1 2.294 1.830 -0.435 0.00 0.00 +0.076 C ENDROOT BRANCH 1 34 ATOM 33 C LIG 1 5.189 1.868 0.442 0.00 0.00 +0.101 C ATOM 34 N LIG 1 4.259 0.783 0.716 0.00 0.00 -0.314 NA ATOM 35 H LIG 1 3.796 0.943 1.615 0.00 0.00 +0.122 HD ENDBRANCH 1 34 BRANCH 2 36 ATOM 36 O LIG 1 1.646 -0.297 1.229 0.00 0.00 -0.373 OA ATOM 37 C LIG 1 1.755 -1.305 2.227 0.00 0.00 +0.194 C ENDBRANCH 2 36 TORSDOF 2