REMARK Name = BDB011173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.745 -4.133 0.244 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -3.040 -2.756 0.328 0.00 0.00 +0.114 A ATOM 3 N LIG 1 -4.210 -2.361 0.868 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 -4.539 -1.057 0.839 0.00 0.00 +0.127 A ATOM 5 C LIG 1 -3.688 -0.077 0.373 0.00 0.00 +0.082 A ATOM 6 C LIG 1 -2.413 -0.423 -0.034 0.00 0.00 +0.070 A ATOM 7 N LIG 1 -1.507 0.661 -0.262 0.00 0.00 -0.289 N ATOM 8 C LIG 1 -1.983 1.942 -0.625 0.00 0.00 +0.337 A ATOM 9 O LIG 1 -1.176 2.776 -1.044 0.00 0.00 -0.246 OA ATOM 10 N LIG 1 -3.354 2.177 -0.462 0.00 0.00 -0.228 N ATOM 11 C LIG 1 -4.145 1.306 0.289 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -5.176 1.599 0.891 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -2.115 -1.810 -0.187 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.002 -2.312 -0.900 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -0.732 -3.675 -0.994 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -1.590 -4.585 -0.400 0.00 0.00 +0.048 A ENDROOT BRANCH 7 17 ATOM 17 C LIG 1 -0.088 0.637 0.185 0.00 0.00 +0.095 C ATOM 18 C LIG 1 0.938 0.606 -0.963 0.00 0.00 +0.044 C ATOM 19 C LIG 1 2.165 -0.244 -0.641 0.00 0.00 +0.113 C ATOM 20 N LIG 1 2.663 -0.001 0.708 0.00 0.00 -0.267 N ATOM 21 C LIG 1 4.011 0.086 1.023 0.00 0.00 +0.403 C ATOM 22 O LIG 1 4.421 0.247 2.166 0.00 0.00 -0.226 OA ATOM 23 C LIG 1 1.709 0.010 1.810 0.00 0.00 +0.113 C ATOM 24 C LIG 1 0.276 -0.276 1.367 0.00 0.00 +0.044 C BRANCH 21 25 ATOM 25 O LIG 1 4.805 -0.033 -0.070 0.00 0.00 -0.445 OA BRANCH 25 26 ATOM 26 C LIG 1 6.250 0.038 0.042 0.00 0.00 +0.107 C ATOM 27 C LIG 1 6.801 -1.111 0.894 0.00 0.00 +0.055 C ATOM 28 C LIG 1 6.758 -0.134 -1.398 0.00 0.00 +0.055 C ATOM 29 C LIG 1 6.704 1.407 0.559 0.00 0.00 +0.055 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 7 17 BRANCH 10 30 ATOM 30 C LIG 1 -3.943 3.448 -0.845 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -5.304 3.509 -1.205 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -5.897 4.711 -1.598 0.00 0.00 +0.043 A ATOM 33 CL LIG 1 -7.560 4.738 -2.044 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 -5.156 5.885 -1.644 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -3.812 5.853 -1.291 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -3.214 4.648 -0.898 0.00 0.00 +0.026 A ENDBRANCH 10 30 BRANCH 1 38 ATOM 37 C LIG 1 -3.428 -6.373 0.773 0.00 0.00 +0.277 C ATOM 38 O LIG 1 -3.674 -4.976 0.816 0.00 0.00 -0.493 OA ENDBRANCH 1 38 TORSDOF 5