REMARK Name = BDB035740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.869 -0.979 -0.653 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.227 0.168 -0.173 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.622 1.310 -0.030 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.145 -0.223 0.175 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.166 0.565 0.674 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.407 -0.041 0.916 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.574 -1.420 0.631 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.523 -2.209 0.126 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.303 -1.577 -0.095 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.021 -2.134 -0.624 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.344 -0.012 -1.748 0.00 0.00 -0.002 A ATOM 12 C LIG 1 3.025 0.066 -1.251 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.202 -1.065 -1.141 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.736 -2.299 -1.543 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.038 -2.398 -2.040 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.836 -1.264 -2.145 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.178 1.270 -1.866 0.00 0.00 +0.195 C ATOM 18 F LIG 1 4.722 2.205 -0.955 0.00 0.00 -0.228 F BRANCH 17 19 ATOM 19 C LIG 1 6.636 1.041 -1.546 0.00 0.00 +0.175 A ATOM 20 N LIG 1 7.150 0.998 -0.272 0.00 0.00 -0.318 N ATOM 21 C LIG 1 6.442 1.163 0.971 0.00 0.00 +0.151 C ATOM 22 C LIG 1 8.482 0.754 -0.405 0.00 0.00 +0.224 A ATOM 23 N LIG 1 8.785 0.651 -1.676 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 7.629 0.832 -2.394 0.00 0.00 -0.131 NA ENDBRANCH 17 19 BRANCH 17 26 ATOM 25 C LIG 1 5.228 1.117 -4.485 0.00 0.00 +0.008 C ATOM 26 C LIG 1 4.975 1.957 -3.238 0.00 0.00 +0.050 C ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 -2.704 -3.672 -0.176 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -3.935 -4.156 0.138 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -2.515 -3.948 -1.496 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.808 -4.449 0.493 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 C LIG 1 -4.572 0.779 1.437 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -5.131 0.169 2.639 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -4.405 0.166 3.356 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -6.430 0.667 3.119 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -6.737 2.149 2.783 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -8.148 1.683 2.350 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -7.562 0.269 2.137 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -6.661 0.255 4.569 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 8