REMARK Name = BDB058108 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.883 0.885 1.568 0.00 0.00 +0.048 C ATOM 2 C LIG 1 3.489 0.963 0.998 0.00 0.00 +0.004 C ATOM 3 C LIG 1 2.962 0.154 0.040 0.00 0.00 -0.000 C ATOM 4 C LIG 1 3.768 -0.991 -0.441 0.00 0.00 +0.025 A ATOM 5 C LIG 1 3.363 -2.277 -0.061 0.00 0.00 +0.131 A ATOM 6 C LIG 1 4.099 -3.400 -0.423 0.00 0.00 +0.084 A ATOM 7 C LIG 1 5.224 -3.228 -1.220 0.00 0.00 +0.127 A ATOM 8 C LIG 1 5.623 -1.962 -1.647 0.00 0.00 +0.039 A ATOM 9 F LIG 1 5.937 -4.299 -1.591 0.00 0.00 -0.205 F ATOM 10 O LIG 1 2.251 -2.430 0.728 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 1.056 -2.236 -0.044 0.00 0.00 +0.265 C ATOM 12 C LIG 1 0.668 -0.808 -0.412 0.00 0.00 -0.002 A ATOM 13 C LIG 1 -0.666 -0.605 -0.827 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -1.125 0.651 -1.255 0.00 0.00 -0.027 A ATOM 15 C LIG 1 -0.212 1.704 -1.331 0.00 0.00 +0.006 A ATOM 16 C LIG 1 1.113 1.520 -0.937 0.00 0.00 +0.009 A ATOM 17 C LIG 1 4.895 -0.836 -1.257 0.00 0.00 +0.015 A ATOM 18 C LIG 1 1.557 0.286 -0.432 0.00 0.00 -0.010 A ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 2.699 2.036 1.652 0.00 0.00 +0.179 A ATOM 20 N LIG 1 1.553 1.736 2.262 0.00 0.00 -0.272 N ATOM 21 H LIG 1 1.077 0.852 2.307 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 1.079 2.880 2.774 0.00 0.00 +0.440 A ATOM 23 O LIG 1 0.040 3.016 3.402 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 1.967 3.886 2.484 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 3.031 3.277 1.748 0.00 0.00 -0.055 NA ENDBRANCH 2 19 BRANCH 14 26 ATOM 26 C LIG 1 -2.574 0.881 -1.631 0.00 0.00 +0.160 C BRANCH 26 27 ATOM 27 N LIG 1 -3.477 0.512 -0.558 0.00 0.00 -0.308 N ATOM 28 C LIG 1 -3.538 1.202 0.631 0.00 0.00 +0.162 A ATOM 29 C LIG 1 -4.457 0.513 1.407 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -4.662 1.009 2.699 0.00 0.00 +0.071 A ATOM 31 C LIG 1 -3.956 2.124 3.132 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -3.071 2.712 2.241 0.00 0.00 +0.114 A ATOM 33 CL LIG 1 -5.781 0.180 3.682 0.00 0.00 -0.081 Cl ATOM 34 N LIG 1 -4.974 -0.544 0.700 0.00 0.00 -0.229 NA ATOM 35 N LIG 1 -2.830 2.298 0.972 0.00 0.00 -0.236 NA ATOM 36 C LIG 1 -4.390 -0.517 -0.485 0.00 0.00 +0.115 A BRANCH 36 37 ATOM 37 C LIG 1 -4.821 -1.593 -1.535 0.00 0.00 +0.055 C ATOM 38 C LIG 1 -5.052 -1.228 -2.974 0.00 0.00 +0.012 C ATOM 39 C LIG 1 -3.919 -2.147 -2.598 0.00 0.00 +0.012 C ENDBRANCH 36 37 ENDBRANCH 26 27 ENDBRANCH 14 26 TORSDOF 4