REMARK Name = BDB007205 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.446 -1.060 0.664 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -5.747 -1.492 -0.637 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -4.853 -1.187 -1.668 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -3.660 -0.498 -1.397 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -2.681 -0.162 -2.484 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -1.227 -0.187 -2.026 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -0.976 0.136 -0.680 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -2.072 0.696 0.144 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -0.358 -0.417 -2.872 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.359 -0.085 -0.096 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -4.251 -0.391 0.938 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.266 2.214 -0.014 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -3.138 2.896 0.858 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.340 4.275 0.750 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.664 4.999 -0.226 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -2.909 6.696 -0.359 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -1.785 4.355 -1.090 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.585 2.974 -0.984 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 0.348 0.044 -0.112 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.309 -0.824 -0.631 0.00 0.00 +0.025 A ATOM 21 C LIG 1 2.595 -0.929 -0.068 0.00 0.00 +0.025 A ATOM 22 C LIG 1 2.996 -0.183 1.047 0.00 0.00 +0.030 A ATOM 23 C LIG 1 2.022 0.688 1.557 0.00 0.00 +0.025 A ATOM 24 C LIG 1 0.733 0.798 1.002 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 4.270 -0.280 1.601 0.00 0.00 -0.333 N ATOM 26 C LIG 1 4.588 0.430 2.837 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.233 -1.300 1.161 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 6.049 -0.820 -0.059 0.00 0.00 +0.009 C ATOM 29 C LIG 1 6.916 0.405 0.292 0.00 0.00 +0.024 C ATOM 30 C LIG 1 8.107 0.548 -0.648 0.00 0.00 +0.108 C ATOM 31 N LIG 1 8.969 -0.634 -0.613 0.00 0.00 -0.302 N ATOM 32 C LIG 1 10.321 -0.621 -0.928 0.00 0.00 +0.212 C ATOM 33 O LIG 1 11.040 -1.614 -0.815 0.00 0.00 -0.276 OA ATOM 34 C LIG 1 10.900 0.683 -1.416 0.00 0.00 +0.109 C ATOM 35 C LIG 1 8.357 -1.898 -0.211 0.00 0.00 +0.108 C ATOM 36 C LIG 1 6.895 -1.972 -0.639 0.00 0.00 +0.024 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 37 ATOM 37 O LIG 1 -6.915 -2.189 -0.801 0.00 0.00 -0.491 OA ATOM 38 C LIG 1 -7.113 -2.848 -2.044 0.00 0.00 +0.277 C ENDBRANCH 2 37 BRANCH 1 39 ATOM 39 O LIG 1 -6.244 -1.330 1.748 0.00 0.00 -0.485 OA BRANCH 39 40 ATOM 40 C LIG 1 -7.520 -0.662 1.691 0.00 0.00 +0.170 C ATOM 41 C LIG 1 -7.473 0.501 2.681 0.00 0.00 +0.052 C BRANCH 40 43 ATOM 42 C LIG 1 -10.010 -1.180 1.944 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -8.588 -1.699 2.067 0.00 0.00 +0.041 C ENDBRANCH 40 43 ENDBRANCH 39 40 ENDBRANCH 1 39 TORSDOF 9