REMARK Name = BDB063409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.287 0.063 0.972 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.119 0.548 1.994 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -2.498 0.721 1.804 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -3.091 0.413 0.576 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.267 -0.079 -0.443 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -0.889 -0.250 -0.247 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.527 0.577 0.320 0.00 0.00 +0.139 A ATOM 8 N LIG 1 -5.396 1.250 1.147 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -5.148 1.712 2.007 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -6.655 1.209 0.602 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -6.494 0.512 -0.592 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -7.623 0.301 -1.403 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -8.872 0.795 -0.979 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -8.992 1.490 0.226 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -7.881 1.714 1.045 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -5.181 0.121 -0.732 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 -7.504 -0.412 -2.688 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -6.633 -0.170 -3.509 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 -8.455 -1.371 -2.928 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -8.993 -1.767 -2.170 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -8.280 -1.956 -3.735 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 1.077 -0.084 1.234 0.00 0.00 -0.284 N ATOM 23 H LIG 1 1.403 0.187 2.149 0.00 0.00 +0.155 HD BRANCH 22 26 ATOM 24 C LIG 1 4.461 -0.875 0.483 0.00 0.00 +0.130 A ATOM 25 N LIG 1 3.345 -0.483 1.133 0.00 0.00 -0.199 NA ATOM 26 C LIG 1 2.167 -0.523 0.486 0.00 0.00 +0.221 A ATOM 27 N LIG 1 2.037 -0.948 -0.775 0.00 0.00 -0.223 NA ATOM 28 C LIG 1 3.150 -1.357 -1.401 0.00 0.00 +0.118 A ATOM 29 C LIG 1 4.389 -1.344 -0.817 0.00 0.00 +0.064 A BRANCH 24 31 ATOM 30 C LIG 1 5.631 -0.420 2.542 0.00 0.00 +0.137 C ATOM 31 N LIG 1 5.722 -0.858 1.143 0.00 0.00 -0.288 N BRANCH 31 32 ATOM 32 C LIG 1 6.948 -0.462 0.547 0.00 0.00 +0.035 A ATOM 33 C LIG 1 7.014 0.569 -0.404 0.00 0.00 +0.025 A ATOM 34 C LIG 1 8.236 0.942 -0.973 0.00 0.00 +0.022 A ATOM 35 C LIG 1 9.404 0.285 -0.597 0.00 0.00 +0.041 A ATOM 36 CL LIG 1 10.907 0.743 -1.298 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 9.362 -0.739 0.345 0.00 0.00 +0.022 A ATOM 38 C LIG 1 8.140 -1.108 0.913 0.00 0.00 +0.025 A ENDBRANCH 31 32 ENDBRANCH 24 31 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 6