REMARK Name = BDB016876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.903 -0.495 -0.594 0.00 0.00 -0.252 N ATOM 2 C LIG 1 -0.212 0.407 -0.126 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -1.378 -0.451 -0.417 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.026 -1.675 -0.893 0.00 0.00 +0.149 A ATOM 5 N LIG 1 -2.103 -2.454 -1.140 0.00 0.00 -0.227 NA ATOM 6 C LIG 1 -3.132 -1.683 -0.830 0.00 0.00 +0.114 A ATOM 7 N LIG 1 -2.734 -0.422 -0.396 0.00 0.00 -0.326 N ATOM 8 C LIG 1 0.407 -1.773 -1.013 0.00 0.00 +0.272 C ATOM 9 O LIG 1 1.022 -2.746 -1.419 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 4.219 3.194 -0.216 0.00 0.00 +0.047 C ATOM 11 C LIG 1 3.915 1.735 -0.437 0.00 0.00 -0.004 A ATOM 12 C LIG 1 4.945 0.772 -0.670 0.00 0.00 +0.164 A ATOM 13 N LIG 1 4.573 -0.541 -0.886 0.00 0.00 -0.285 N ATOM 14 C LIG 1 5.755 -1.219 -1.089 0.00 0.00 +0.135 A ATOM 15 N LIG 1 6.763 -0.374 -1.000 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 5.845 -2.670 -1.364 0.00 0.00 +0.088 C ATOM 17 C LIG 1 3.254 -0.982 -0.872 0.00 0.00 +0.118 A ATOM 18 C LIG 1 2.247 -0.115 -0.637 0.00 0.00 +0.055 A ATOM 19 N LIG 1 6.254 0.876 -0.737 0.00 0.00 -0.129 NA ATOM 20 C LIG 1 2.633 1.291 -0.431 0.00 0.00 +0.032 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 -0.095 0.766 1.349 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -0.143 2.112 1.753 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -0.038 2.458 3.103 0.00 0.00 +0.020 A ATOM 24 C LIG 1 0.115 1.463 4.064 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 0.238 1.891 5.725 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 0.165 0.124 3.687 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.061 -0.223 2.338 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.606 -2.182 -0.949 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -5.409 -1.794 -2.163 0.00 0.00 +0.012 C ATOM 30 C LIG 1 -4.943 -3.210 -1.998 0.00 0.00 +0.012 C ENDBRANCH 6 28 BRANCH 7 31 ATOM 31 C LIG 1 -3.641 0.656 -0.027 0.00 0.00 +0.083 C ATOM 32 C LIG 1 -3.261 2.003 -0.642 0.00 0.00 +0.030 C ATOM 33 C LIG 1 -3.825 0.752 1.485 0.00 0.00 +0.030 C ENDBRANCH 7 31 TORSDOF 4