REMARK Name = BDB026989 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.722 -1.183 0.124 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.756 -2.685 0.386 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.830 -3.583 -0.692 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.867 -4.961 -0.470 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.831 -5.459 0.831 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.761 -4.581 1.910 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.726 -3.203 1.691 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.927 -0.479 0.637 0.00 0.00 -0.300 NA ATOM 9 H LIG 1 -2.956 -0.617 1.649 0.00 0.00 +0.123 HD BRANCH 8 11 ATOM 10 C LIG 1 -5.330 -0.591 0.993 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -4.191 -0.853 -0.002 0.00 0.00 +0.056 C BRANCH 11 12 ATOM 12 C LIG 1 -4.428 -0.150 -1.367 0.00 0.00 +0.055 C BRANCH 12 13 ATOM 13 C LIG 1 -4.512 1.365 -1.355 0.00 0.00 -0.028 A ATOM 14 C LIG 1 -3.424 2.208 -1.647 0.00 0.00 +0.046 A ATOM 15 CL LIG 1 -1.880 1.601 -2.132 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 -3.562 3.599 -1.598 0.00 0.00 +0.040 A ATOM 17 C LIG 1 -4.789 4.165 -1.270 0.00 0.00 +0.042 A ATOM 18 CL LIG 1 -4.958 5.876 -1.214 0.00 0.00 -0.083 Cl ATOM 19 C LIG 1 -5.886 3.354 -0.997 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -5.748 1.966 -1.044 0.00 0.00 +0.006 A ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -0.461 -0.546 0.783 0.00 0.00 +0.186 C ATOM 22 O LIG 1 -0.504 -0.134 1.948 0.00 0.00 -0.290 OA BRANCH 21 23 ATOM 23 C LIG 1 0.793 -0.488 0.014 0.00 0.00 +0.044 A ATOM 24 C LIG 1 2.038 0.096 0.437 0.00 0.00 +0.010 A ATOM 25 C LIG 1 2.959 -0.071 -0.596 0.00 0.00 +0.048 A ATOM 26 C LIG 1 4.285 0.383 -0.518 0.00 0.00 +0.034 A ATOM 27 C LIG 1 4.701 1.032 0.656 0.00 0.00 -0.013 A ATOM 28 C LIG 1 3.791 1.214 1.702 0.00 0.00 +0.009 A ATOM 29 N LIG 1 2.312 -0.731 -1.612 0.00 0.00 -0.360 N ATOM 30 H LIG 1 2.740 -0.986 -2.491 0.00 0.00 +0.165 HD ATOM 31 C LIG 1 2.469 0.756 1.606 0.00 0.00 +0.011 A ATOM 32 C LIG 1 1.014 -0.989 -1.258 0.00 0.00 +0.095 A BRANCH 27 33 ATOM 33 C LIG 1 6.070 1.512 0.764 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.794 1.602 1.935 0.00 0.00 +0.116 A ATOM 35 N LIG 1 8.027 2.076 1.591 0.00 0.00 -0.274 N ATOM 36 C LIG 1 9.136 2.334 2.476 0.00 0.00 +0.172 C ATOM 37 N LIG 1 8.167 2.297 0.272 0.00 0.00 -0.179 NA ATOM 38 C LIG 1 6.976 1.956 -0.228 0.00 0.00 +0.142 A ENDBRANCH 27 33 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8