REMARK Name = BDB016790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.982 -0.435 -0.652 0.00 0.00 -0.252 N ATOM 2 C LIG 1 -0.079 0.507 -0.146 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -1.281 -0.306 -0.396 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.005 -1.533 -0.903 0.00 0.00 +0.149 A ATOM 5 N LIG 1 -2.130 -2.258 -1.090 0.00 0.00 -0.227 NA ATOM 6 C LIG 1 -3.110 -1.455 -0.694 0.00 0.00 +0.114 A ATOM 7 N LIG 1 -2.630 -0.226 -0.261 0.00 0.00 -0.326 N ATOM 8 C LIG 1 0.416 -1.684 -1.083 0.00 0.00 +0.272 C ATOM 9 O LIG 1 0.977 -2.672 -1.530 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 4.462 3.095 -0.227 0.00 0.00 +0.047 C ATOM 11 C LIG 1 4.088 1.663 -0.514 0.00 0.00 -0.004 A ATOM 12 C LIG 1 5.066 0.675 -0.848 0.00 0.00 +0.164 A ATOM 13 N LIG 1 4.631 -0.609 -1.111 0.00 0.00 -0.285 N ATOM 14 C LIG 1 5.775 -1.321 -1.405 0.00 0.00 +0.135 A ATOM 15 N LIG 1 6.819 -0.520 -1.321 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 5.793 -2.758 -1.756 0.00 0.00 +0.088 C ATOM 17 C LIG 1 3.297 -0.999 -1.058 0.00 0.00 +0.118 A ATOM 18 C LIG 1 2.337 -0.107 -0.736 0.00 0.00 +0.055 A ATOM 19 N LIG 1 6.373 0.733 -0.972 0.00 0.00 -0.129 NA ATOM 20 C LIG 1 2.790 1.270 -0.471 0.00 0.00 +0.032 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.072 0.871 1.323 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -0.101 2.205 1.733 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.013 2.559 3.080 0.00 0.00 +0.020 A ATOM 24 C LIG 1 0.297 1.582 4.032 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 0.432 2.019 5.689 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 0.467 0.255 3.648 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.353 -0.100 2.302 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.602 -1.913 -0.734 0.00 0.00 +0.055 C ATOM 29 C LIG 1 -4.972 -3.120 -1.559 0.00 0.00 +0.012 C ATOM 30 C LIG 1 -5.374 -1.751 -2.018 0.00 0.00 +0.012 C ENDBRANCH 6 28 BRANCH 7 31 ATOM 31 C LIG 1 -3.371 0.912 0.263 0.00 0.00 +0.083 C ATOM 32 C LIG 1 -4.496 1.389 -0.655 0.00 0.00 +0.030 C ATOM 33 C LIG 1 -3.866 0.665 1.686 0.00 0.00 +0.030 C ENDBRANCH 7 31 TORSDOF 4