REMARK Name = BDB016847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.705 -0.867 0.784 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.919 -0.108 -0.247 0.00 0.00 +0.161 C ATOM 3 C LIG 1 0.455 -0.411 0.209 0.00 0.00 +0.077 A ATOM 4 C LIG 1 0.474 -1.167 1.337 0.00 0.00 +0.150 A ATOM 5 N LIG 1 1.734 -1.448 1.735 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 2.513 -0.851 0.840 0.00 0.00 +0.138 A ATOM 7 N LIG 1 1.753 -0.228 -0.162 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -0.867 -1.484 1.759 0.00 0.00 +0.272 C ATOM 9 O LIG 1 -1.157 -2.165 2.728 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 -5.951 -2.206 3.040 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -5.266 -1.640 1.831 0.00 0.00 -0.019 A ATOM 12 C LIG 1 -5.954 -1.221 0.683 0.00 0.00 +0.116 A ATOM 13 N LIG 1 -7.293 -1.223 0.391 0.00 0.00 -0.129 NA ATOM 14 N LIG 1 -7.452 -0.728 -0.829 0.00 0.00 -0.065 NA ATOM 15 N LIG 1 -6.233 -0.409 -1.295 0.00 0.00 -0.247 N ATOM 16 C LIG 1 -6.110 0.165 -2.608 0.00 0.00 +0.175 C ATOM 17 C LIG 1 -5.245 -0.704 -0.393 0.00 0.00 +0.091 A ATOM 18 C LIG 1 -3.847 -0.580 -0.403 0.00 0.00 +0.053 A ATOM 19 C LIG 1 -3.131 -0.987 0.739 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -3.856 -1.507 1.826 0.00 0.00 +0.029 A ENDBRANCH 1 19 BRANCH 2 21 ATOM 21 C LIG 1 -1.231 1.381 -0.248 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -1.195 2.143 0.934 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -1.485 3.509 0.915 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.815 4.130 -0.285 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -2.170 5.813 -0.312 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -1.859 3.397 -1.468 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -1.569 2.030 -1.450 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 3.941 -0.832 0.818 0.00 0.00 -0.006 C ATOM 29 C LIG 1 4.787 0.406 1.028 0.00 0.00 +0.054 C ATOM 30 C LIG 1 6.242 0.079 1.406 0.00 0.00 +0.089 C ATOM 31 N LIG 1 6.835 -1.002 0.605 0.00 0.00 -0.301 NA ATOM 32 C LIG 1 7.016 -0.627 -0.795 0.00 0.00 +0.105 C ATOM 33 C LIG 1 6.039 -2.228 0.747 0.00 0.00 +0.111 C ATOM 34 C LIG 1 4.550 -2.032 0.715 0.00 0.00 -0.005 C ENDBRANCH 6 28 BRANCH 7 35 ATOM 35 C LIG 1 2.267 0.393 -1.378 0.00 0.00 +0.083 C ATOM 36 C LIG 1 2.275 1.917 -1.285 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.565 -0.091 -2.648 0.00 0.00 +0.030 C ENDBRANCH 7 35 TORSDOF 4