REMARK Name = BDB016793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.824 0.581 0.378 0.00 0.00 +0.143 A ATOM 2 N LIG 1 1.955 -0.407 0.850 0.00 0.00 -0.328 N ATOM 3 C LIG 1 2.323 -1.657 1.466 0.00 0.00 +0.150 C ATOM 4 C LIG 1 0.706 0.017 0.546 0.00 0.00 +0.076 A ATOM 5 C LIG 1 -0.696 -0.418 0.678 0.00 0.00 +0.161 C ATOM 6 N LIG 1 -1.393 0.764 0.053 0.00 0.00 -0.252 N ATOM 7 C LIG 1 -0.454 1.729 -0.445 0.00 0.00 +0.272 C ATOM 8 O LIG 1 -0.660 2.784 -1.023 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 0.842 1.204 -0.093 0.00 0.00 +0.150 A ATOM 10 N LIG 1 2.143 1.555 -0.223 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.782 0.915 0.011 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -3.400 1.898 -0.676 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.788 1.984 -0.688 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -5.616 1.101 -0.021 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -6.871 1.435 -0.225 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.886 2.548 -1.033 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -5.012 0.049 0.734 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -5.831 -0.951 1.509 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.638 2.874 -1.307 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -5.189 4.010 -2.142 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -3.657 -0.019 0.741 0.00 0.00 +0.032 A ENDBRANCH 6 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.967 -1.732 -0.038 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -1.276 -2.883 0.709 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -1.519 -4.103 0.072 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.451 -4.187 -1.316 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -1.748 -5.690 -2.097 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -1.142 -3.061 -2.074 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.899 -1.840 -1.439 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 32 ATOM 29 C LIG 1 7.031 0.536 0.495 0.00 0.00 +0.214 A ATOM 30 N LIG 1 6.414 0.820 -0.669 0.00 0.00 -0.221 NA ATOM 31 C LIG 1 5.058 0.836 -0.647 0.00 0.00 +0.126 A ATOM 32 C LIG 1 4.282 0.549 0.473 0.00 0.00 +0.036 A ATOM 33 C LIG 1 4.961 0.276 1.662 0.00 0.00 +0.018 A ATOM 34 C LIG 1 6.356 0.264 1.674 0.00 0.00 +0.068 A BRANCH 29 36 ATOM 35 C LIG 1 9.032 0.837 -0.677 0.00 0.00 +0.279 C ATOM 36 O LIG 1 8.410 0.504 0.560 0.00 0.00 -0.480 OA ENDBRANCH 29 36 ENDBRANCH 1 32 TORSDOF 4