REMARK Name = BDB023973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.415 -0.020 2.055 0.00 0.00 +0.045 A ATOM 2 C LIG 1 1.666 0.417 1.474 0.00 0.00 +0.148 A ATOM 3 N LIG 1 2.705 0.754 2.341 0.00 0.00 -0.305 N ATOM 4 C LIG 1 3.777 1.129 1.572 0.00 0.00 +0.121 A ATOM 5 C LIG 1 3.362 1.004 0.266 0.00 0.00 +0.090 A ATOM 6 C LIG 1 2.616 0.702 3.726 0.00 0.00 +0.093 A ATOM 7 C LIG 1 1.467 0.301 4.285 0.00 0.00 +0.019 A ATOM 8 N LIG 1 2.058 0.564 0.222 0.00 0.00 -0.227 NA ATOM 9 C LIG 1 0.364 -0.069 3.416 0.00 0.00 +0.015 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -1.986 2.485 -4.202 0.00 0.00 +0.109 C ATOM 11 C LIG 1 -1.044 2.087 -3.094 0.00 0.00 +0.213 C ATOM 12 N LIG 1 -1.560 1.314 -2.060 0.00 0.00 -0.297 N ATOM 13 C LIG 1 -0.630 1.029 -0.939 0.00 0.00 +0.146 C ATOM 14 C LIG 1 -1.203 0.040 0.022 0.00 0.00 +0.019 A ATOM 15 C LIG 1 -0.759 -0.431 1.296 0.00 0.00 +0.101 A ATOM 16 N LIG 1 -1.646 -1.321 1.794 0.00 0.00 -0.170 NA ATOM 17 N LIG 1 -2.604 -1.437 0.860 0.00 0.00 -0.264 N ATOM 18 C LIG 1 -2.417 -0.586 -0.180 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -3.318 -0.322 -1.323 0.00 0.00 +0.074 C ATOM 20 C LIG 1 -3.005 1.090 -1.853 0.00 0.00 +0.114 C ATOM 21 O LIG 1 0.134 2.442 -3.138 0.00 0.00 -0.276 OA BRANCH 17 22 ATOM 22 C LIG 1 -3.705 -2.369 1.067 0.00 0.00 +0.112 C ATOM 23 C LIG 1 -4.730 -1.812 2.064 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -5.492 -2.931 2.761 0.00 0.00 +0.162 C ATOM 25 O LIG 1 -5.651 -4.030 1.871 0.00 0.00 -0.380 OA ATOM 26 C LIG 1 -4.418 -4.709 1.615 0.00 0.00 +0.162 C ATOM 27 C LIG 1 -3.230 -3.760 1.490 0.00 0.00 +0.055 C ENDBRANCH 17 22 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 4.146 1.299 -0.923 0.00 0.00 +0.002 A ATOM 29 C LIG 1 5.545 1.397 -0.885 0.00 0.00 +0.022 A ATOM 30 C LIG 1 6.287 1.688 -2.046 0.00 0.00 +0.055 A ATOM 31 C LIG 1 5.609 1.871 -3.260 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.220 1.773 -3.309 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.497 1.488 -2.149 0.00 0.00 +0.010 A BRANCH 30 34 ATOM 34 C LIG 1 7.790 1.774 -1.974 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.364 2.290 -3.096 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.372 0.558 -1.782 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.220 2.557 -0.945 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 5 28 TORSDOF 4