REMARK Name = BDB014887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.093 -0.168 -0.560 0.00 0.00 +0.069 A ATOM 2 C LIG 1 2.048 -0.699 -1.442 0.00 0.00 +0.145 A ATOM 3 F LIG 1 1.629 -1.394 -2.511 0.00 0.00 -0.204 F ATOM 4 C LIG 1 3.417 -0.526 -1.252 0.00 0.00 +0.050 A ATOM 5 C LIG 1 3.881 0.201 -0.151 0.00 0.00 +0.006 A ATOM 6 C LIG 1 2.946 0.747 0.750 0.00 0.00 +0.061 A ATOM 7 C LIG 1 1.567 0.558 0.537 0.00 0.00 +0.045 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 5.314 0.361 0.019 0.00 0.00 +0.033 A ATOM 9 C LIG 1 6.348 -0.607 0.203 0.00 0.00 +0.173 A ATOM 10 N LIG 1 7.553 -0.003 0.289 0.00 0.00 -0.167 NA ATOM 11 N LIG 1 7.281 1.309 0.188 0.00 0.00 -0.273 N ATOM 12 C LIG 1 8.358 2.266 0.275 0.00 0.00 +0.172 C ATOM 13 C LIG 1 5.959 1.578 -0.001 0.00 0.00 +0.117 A BRANCH 9 14 ATOM 14 C LIG 1 6.176 -2.099 0.292 0.00 0.00 +0.437 C ATOM 15 F LIG 1 5.144 -2.438 1.113 0.00 0.00 -0.164 F ATOM 16 F LIG 1 7.271 -2.754 0.758 0.00 0.00 -0.164 F ATOM 17 F LIG 1 5.885 -2.640 -0.925 0.00 0.00 -0.164 F ENDBRANCH 9 14 ENDBRANCH 5 8 BRANCH 1 18 ATOM 18 N LIG 1 -0.276 -0.388 -0.840 0.00 0.00 -0.295 N ATOM 19 H LIG 1 -0.372 -0.972 -1.668 0.00 0.00 +0.154 HD BRANCH 18 25 ATOM 20 C LIG 1 -6.571 -2.488 -2.776 0.00 0.00 +0.109 C ATOM 21 C LIG 1 -5.077 -2.302 -2.697 0.00 0.00 +0.213 C ATOM 22 N LIG 1 -4.597 -1.332 -1.825 0.00 0.00 -0.297 N ATOM 23 C LIG 1 -3.137 -1.121 -1.849 0.00 0.00 +0.148 C ATOM 24 C LIG 1 -2.696 -0.349 -0.657 0.00 0.00 +0.032 A ATOM 25 C LIG 1 -1.401 -0.002 -0.193 0.00 0.00 +0.150 A ATOM 26 N LIG 1 -1.482 0.744 0.914 0.00 0.00 -0.155 NA ATOM 27 N LIG 1 -2.793 0.822 1.196 0.00 0.00 -0.259 N ATOM 28 C LIG 1 -3.566 0.225 0.246 0.00 0.00 +0.048 A ATOM 29 C LIG 1 -5.043 0.149 0.165 0.00 0.00 +0.074 C ATOM 30 C LIG 1 -5.437 -0.244 -1.275 0.00 0.00 +0.114 C ATOM 31 O LIG 1 -4.329 -3.000 -3.381 0.00 0.00 -0.276 OA BRANCH 27 32 ATOM 32 C LIG 1 -3.317 1.596 2.325 0.00 0.00 +0.159 C ATOM 33 C LIG 1 -2.333 1.784 3.485 0.00 0.00 +0.189 C ATOM 34 O LIG 1 -3.347 1.339 4.433 0.00 0.00 -0.375 OA ATOM 35 C LIG 1 -4.089 0.745 3.335 0.00 0.00 +0.189 C ENDBRANCH 27 32 ENDBRANCH 18 25 ENDBRANCH 1 18 BRANCH 6 36 ATOM 36 C LIG 1 3.354 1.498 1.905 0.00 0.00 +0.100 C ATOM 37 N LIG 1 3.677 2.120 2.831 0.00 0.00 -0.191 NA ENDBRANCH 6 36 TORSDOF 6