REMARK Name = BDB036264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.694 -1.919 -0.108 0.00 0.00 +0.061 A ATOM 2 C LIG 1 1.590 -0.507 -0.273 0.00 0.00 +0.151 A ATOM 3 N LIG 1 0.384 -0.018 -0.731 0.00 0.00 -0.271 N ATOM 4 C LIG 1 0.496 1.353 -0.779 0.00 0.00 +0.120 A ATOM 5 C LIG 1 1.781 1.638 -0.366 0.00 0.00 +0.074 A ATOM 6 C LIG 1 -0.713 -0.847 -1.048 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.604 -2.138 -0.889 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 2.450 0.471 -0.059 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 0.596 -2.638 -0.430 0.00 0.00 +0.128 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 5.628 -5.025 0.610 0.00 0.00 +0.067 C ATOM 11 C LIG 1 4.598 -3.964 0.692 0.00 0.00 +0.061 A ATOM 12 N LIG 1 4.631 -3.068 1.681 0.00 0.00 -0.176 NA ATOM 13 N LIG 1 3.574 -2.259 1.441 0.00 0.00 -0.266 N ATOM 14 C LIG 1 3.317 -1.200 2.392 0.00 0.00 +0.173 C ATOM 15 C LIG 1 2.853 -2.628 0.326 0.00 0.00 +0.074 A ATOM 16 C LIG 1 3.505 -3.742 -0.170 0.00 0.00 +0.052 A ENDBRANCH 1 15 BRANCH 6 17 ATOM 17 N LIG 1 -1.872 -0.262 -1.512 0.00 0.00 -0.310 N ATOM 18 H LIG 1 -1.781 0.648 -1.948 0.00 0.00 +0.149 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.934 -1.064 -2.093 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 C LIG 1 -4.162 -0.216 -2.260 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -4.930 0.199 -1.177 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -4.729 -0.021 0.276 0.00 0.00 +0.080 C ATOM 23 C LIG 1 -6.092 0.448 0.786 0.00 0.00 +0.234 C ATOM 24 O LIG 1 -6.676 1.345 -0.187 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 -6.044 1.010 -1.356 0.00 0.00 +0.124 A ATOM 26 C LIG 1 -6.444 1.447 -2.602 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -5.694 1.037 -3.705 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -4.571 0.218 -3.528 0.00 0.00 +0.129 A ATOM 29 F LIG 1 -3.864 -0.138 -4.610 0.00 0.00 -0.205 F ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 5 30 ATOM 30 C LIG 1 2.449 2.970 -0.218 0.00 0.00 +0.138 C BRANCH 30 31 ATOM 31 N LIG 1 3.215 3.019 1.033 0.00 0.00 -0.308 NA ATOM 32 H LIG 1 3.739 2.140 1.083 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 2.375 3.175 2.225 0.00 0.00 +0.054 C ATOM 34 C LIG 1 2.995 3.772 3.457 0.00 0.00 +0.020 C ATOM 35 C LIG 1 1.979 4.552 2.675 0.00 0.00 +0.020 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7