REMARK Name = BDB056572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.291 2.102 0.206 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.130 1.599 -1.086 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -0.855 1.241 -1.527 0.00 0.00 +0.063 A ATOM 4 CL LIG 1 -0.696 0.608 -3.131 0.00 0.00 -0.082 Cl ATOM 5 C LIG 1 0.277 1.371 -0.694 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.091 1.928 0.580 0.00 0.00 +0.025 A ATOM 7 C LIG 1 -1.181 2.292 1.031 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 -6.975 -0.195 0.576 0.00 0.00 +0.059 C ATOM 9 C LIG 1 -7.140 1.319 0.348 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -6.000 2.095 1.002 0.00 0.00 +0.109 C ATOM 11 N LIG 1 -4.691 1.607 0.575 0.00 0.00 -0.297 N ATOM 12 C LIG 1 -3.628 2.513 0.689 0.00 0.00 +0.247 C ATOM 13 O LIG 1 -3.745 3.650 1.139 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -4.485 0.165 0.723 0.00 0.00 +0.109 C ATOM 15 C LIG 1 -5.597 -0.641 0.057 0.00 0.00 +0.038 C BRANCH 8 17 ATOM 16 C LIG 1 -8.230 -2.287 0.605 0.00 0.00 +0.104 C ATOM 17 N LIG 1 -8.134 -0.940 0.040 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -8.206 -1.002 -1.419 0.00 0.00 +0.104 C ENDBRANCH 8 17 ENDBRANCH 1 12 BRANCH 5 19 ATOM 19 N LIG 1 1.566 1.043 -1.183 0.00 0.00 -0.298 N ATOM 20 H LIG 1 1.500 0.558 -2.075 0.00 0.00 +0.154 HD BRANCH 19 21 ATOM 21 C LIG 1 2.676 0.549 -0.456 0.00 0.00 +0.125 A ATOM 22 N LIG 1 2.545 0.182 0.838 0.00 0.00 -0.239 NA ATOM 23 C LIG 1 3.613 -0.287 1.532 0.00 0.00 +0.123 A ATOM 24 C LIG 1 4.865 -0.392 0.924 0.00 0.00 +0.018 A ATOM 25 C LIG 1 4.986 -0.003 -0.407 0.00 0.00 +0.052 A ATOM 26 N LIG 1 6.299 -0.189 -0.770 0.00 0.00 -0.354 N ATOM 27 H LIG 1 6.679 0.016 -1.683 0.00 0.00 +0.166 HD ATOM 28 C LIG 1 7.014 -0.692 0.285 0.00 0.00 +0.050 A ATOM 29 C LIG 1 6.151 -0.828 1.351 0.00 0.00 +0.037 A ATOM 30 C LIG 1 3.897 0.480 -1.133 0.00 0.00 +0.070 A BRANCH 28 31 ATOM 31 C LIG 1 8.519 -1.033 0.254 0.00 0.00 +0.036 A ATOM 32 C LIG 1 9.256 -1.535 1.298 0.00 0.00 +0.118 A ATOM 33 N LIG 1 10.527 -1.680 0.821 0.00 0.00 -0.274 N ATOM 34 C LIG 1 11.674 -2.174 1.542 0.00 0.00 +0.172 C ATOM 35 N LIG 1 10.664 -1.306 -0.466 0.00 0.00 -0.179 NA ATOM 36 C LIG 1 9.434 -0.910 -0.808 0.00 0.00 +0.144 A ENDBRANCH 28 31 ENDBRANCH 19 21 ENDBRANCH 5 19 TORSDOF 5