REMARK Name = BDB056592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.644 0.211 0.214 0.00 0.00 +0.125 A ATOM 2 N LIG 1 0.929 1.473 0.580 0.00 0.00 -0.239 NA ATOM 3 C LIG 1 -0.052 2.401 0.648 0.00 0.00 +0.123 A ATOM 4 C LIG 1 -1.375 2.072 0.340 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -2.576 2.809 0.326 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -3.610 1.956 -0.006 0.00 0.00 +0.064 A ATOM 7 N LIG 1 -3.062 0.710 -0.336 0.00 0.00 -0.245 N ATOM 8 C LIG 1 -3.752 -0.375 -0.924 0.00 0.00 +0.421 C ATOM 9 O LIG 1 -4.805 -0.219 -1.517 0.00 0.00 -0.223 OA ATOM 10 C LIG 1 -1.685 0.765 -0.038 0.00 0.00 +0.065 A ATOM 11 C LIG 1 -0.653 -0.187 -0.120 0.00 0.00 +0.070 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -5.114 2.408 0.071 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -5.515 3.700 0.340 0.00 0.00 +0.118 A ATOM 14 N LIG 1 -6.879 3.687 0.345 0.00 0.00 -0.274 N ATOM 15 C LIG 1 -7.760 4.807 0.567 0.00 0.00 +0.172 C ATOM 16 N LIG 1 -7.400 2.469 0.128 0.00 0.00 -0.179 NA ATOM 17 C LIG 1 -6.324 1.694 -0.046 0.00 0.00 +0.144 A ENDBRANCH 6 12 BRANCH 1 18 ATOM 18 N LIG 1 1.661 -0.769 0.123 0.00 0.00 -0.298 N ATOM 19 H LIG 1 1.361 -1.621 0.591 0.00 0.00 +0.154 HD BRANCH 18 24 ATOM 20 C LIG 1 5.895 -0.373 0.391 0.00 0.00 -0.013 A ATOM 21 C LIG 1 5.258 -1.557 0.778 0.00 0.00 +0.030 A ATOM 22 C LIG 1 3.866 -1.671 0.698 0.00 0.00 +0.063 A ATOM 23 CL LIG 1 3.141 -3.169 1.182 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 3.062 -0.604 0.248 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.714 0.563 -0.164 0.00 0.00 +0.025 A ATOM 26 C LIG 1 5.109 0.682 -0.086 0.00 0.00 +0.010 A BRANCH 20 31 ATOM 27 C LIG 1 10.642 -0.872 1.766 0.00 0.00 +0.172 C ATOM 28 N LIG 1 9.434 -0.468 1.090 0.00 0.00 -0.274 N ATOM 29 N LIG 1 9.503 0.427 0.090 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 8.230 0.570 -0.289 0.00 0.00 +0.142 A ATOM 31 C LIG 1 7.340 -0.234 0.462 0.00 0.00 +0.020 A ATOM 32 C LIG 1 8.163 -0.894 1.352 0.00 0.00 +0.116 A ENDBRANCH 20 31 ENDBRANCH 18 24 ENDBRANCH 1 18 BRANCH 8 33 ATOM 33 O LIG 1 -3.085 -1.538 -0.732 0.00 0.00 -0.442 OA BRANCH 33 34 ATOM 34 C LIG 1 -3.619 -2.785 -1.247 0.00 0.00 +0.107 C ATOM 35 C LIG 1 -4.971 -3.119 -0.606 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -3.699 -2.765 -2.777 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -2.598 -3.853 -0.823 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6