REMARK Name = BDB009879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.318 -1.169 -0.152 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -1.318 -0.149 0.254 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.688 -0.795 0.612 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -3.063 -2.000 -0.268 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.156 -2.266 -1.480 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -2.420 -1.291 -2.642 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.678 -2.153 -1.079 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.162 -2.859 -1.641 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.868 0.774 1.394 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.673 0.305 2.705 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.253 1.169 3.720 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.025 2.512 3.436 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.505 3.572 4.683 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.216 3.000 2.147 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.639 2.136 1.133 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.831 0.215 0.695 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.534 0.365 1.903 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.576 1.287 2.009 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -6.418 1.456 3.501 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.939 2.070 0.918 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.255 1.930 -0.287 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.209 1.009 -0.398 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.134 -0.842 -0.062 0.00 0.00 +0.098 C BRANCH 23 24 ATOM 24 C LIG 1 1.922 -2.019 0.490 0.00 0.00 +0.011 C ATOM 25 C LIG 1 2.868 -1.824 1.653 0.00 0.00 +0.006 C ATOM 26 C LIG 1 1.617 -2.634 1.835 0.00 0.00 +0.006 C ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 1.718 -0.346 -1.416 0.00 0.00 +0.140 C BRANCH 27 35 ATOM 28 C LIG 1 4.200 3.830 -0.511 0.00 0.00 +0.134 C ATOM 29 N LIG 1 3.967 2.442 -0.848 0.00 0.00 -0.274 N ATOM 30 C LIG 1 4.997 1.412 -0.780 0.00 0.00 +0.109 C ATOM 31 C LIG 1 6.064 1.587 -1.855 0.00 0.00 +0.041 C ATOM 32 C LIG 1 5.598 1.275 0.617 0.00 0.00 +0.041 C ATOM 33 C LIG 1 4.143 0.171 -1.087 0.00 0.00 +0.246 C ATOM 34 O LIG 1 4.573 -0.972 -1.166 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 2.840 0.558 -1.230 0.00 0.00 -0.222 N ATOM 36 C LIG 1 2.708 1.905 -1.058 0.00 0.00 +0.312 C ATOM 37 O LIG 1 1.659 2.531 -1.077 0.00 0.00 -0.252 OA ENDBRANCH 27 35 ENDBRANCH 23 27 ENDBRANCH 1 23 BRANCH 5 38 ATOM 38 C LIG 1 -2.381 -3.717 -1.991 0.00 0.00 +0.136 C BRANCH 38 39 ATOM 39 C LIG 1 -3.808 -4.037 -2.335 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -4.662 -4.438 -1.563 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -4.102 -3.810 -3.628 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -5.044 -4.069 -3.710 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 5 38 TORSDOF 9