REMARK Name = BDB065197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.146 -1.215 1.460 0.00 0.00 -0.265 N ATOM 2 N LIG 1 -1.937 -0.121 1.418 0.00 0.00 -0.177 NA ATOM 3 C LIG 1 -2.697 -0.328 0.336 0.00 0.00 +0.157 A ATOM 4 C LIG 1 -2.424 -1.566 -0.282 0.00 0.00 +0.071 A ATOM 5 C LIG 1 -1.421 -2.123 0.473 0.00 0.00 +0.132 A ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 -2.973 -2.147 -1.365 0.00 0.00 -0.281 N ATOM 7 H LIG 1 -2.648 -3.046 -1.700 0.00 0.00 +0.155 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.979 -1.709 -2.224 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -4.587 -0.527 -2.042 0.00 0.00 -0.211 NA ATOM 10 C LIG 1 -5.550 -0.163 -2.921 0.00 0.00 +0.112 A ATOM 11 C LIG 1 -5.939 -0.962 -3.978 0.00 0.00 +0.087 A ATOM 12 CL LIG 1 -7.177 -0.584 -5.104 0.00 0.00 -0.080 Cl ATOM 13 C LIG 1 -5.267 -2.158 -4.074 0.00 0.00 +0.136 A ATOM 14 N LIG 1 -4.293 -2.548 -3.223 0.00 0.00 -0.221 NA BRANCH 10 15 ATOM 15 C LIG 1 -6.095 1.163 -2.652 0.00 0.00 +0.093 A ATOM 16 N LIG 1 -6.535 1.618 -1.417 0.00 0.00 -0.298 N ATOM 17 C LIG 1 -6.947 2.938 -1.601 0.00 0.00 +0.138 A ATOM 18 C LIG 1 -7.442 3.638 -0.463 0.00 0.00 +0.047 A ATOM 19 C LIG 1 -7.512 3.017 0.730 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -7.091 1.635 0.888 0.00 0.00 +0.018 A ATOM 21 N LIG 1 -6.801 3.326 -2.848 0.00 0.00 -0.235 NA ATOM 22 C LIG 1 -6.617 0.971 -0.179 0.00 0.00 +0.093 A ATOM 23 C LIG 1 -6.273 2.245 -3.498 0.00 0.00 +0.141 A ENDBRANCH 10 15 ENDBRANCH 6 8 ENDBRANCH 4 6 BRANCH 1 24 ATOM 24 C LIG 1 -0.154 -1.356 2.518 0.00 0.00 +0.178 C BRANCH 24 28 ATOM 25 C LIG 1 3.789 -0.181 1.170 0.00 0.00 +0.038 A ATOM 26 C LIG 1 2.790 0.779 1.367 0.00 0.00 +0.013 A ATOM 27 C LIG 1 1.519 0.398 1.805 0.00 0.00 +0.006 A ATOM 28 C LIG 1 1.223 -0.951 2.047 0.00 0.00 -0.026 A ATOM 29 C LIG 1 2.223 -1.913 1.835 0.00 0.00 +0.006 A ATOM 30 C LIG 1 3.495 -1.532 1.391 0.00 0.00 +0.013 A BRANCH 25 33 ATOM 31 N LIG 1 6.210 -0.527 1.003 0.00 0.00 -0.247 N ATOM 32 H LIG 1 6.119 -1.365 1.567 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 5.124 0.284 0.700 0.00 0.00 +0.258 C ATOM 34 O LIG 1 5.236 1.352 0.101 0.00 0.00 -0.269 OA BRANCH 31 35 ATOM 35 N LIG 1 7.497 -0.141 0.570 0.00 0.00 -0.240 NA ATOM 36 H LIG 1 7.360 0.616 -0.117 0.00 0.00 +0.144 HD BRANCH 35 37 ATOM 37 C LIG 1 8.276 0.405 1.688 0.00 0.00 +0.102 C BRANCH 37 39 ATOM 38 C LIG 1 10.520 -0.121 0.590 0.00 0.00 +0.005 C ATOM 39 C LIG 1 9.630 0.942 1.219 0.00 0.00 +0.013 C ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 25 33 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 9