REMARK Name = BDB019893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.379 -1.323 0.117 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.108 -0.944 0.565 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.421 0.311 0.234 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.338 1.196 -0.540 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.613 0.831 -1.001 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.127 -0.430 -0.661 0.00 0.00 +0.014 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -2.532 -4.345 1.674 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -2.886 -4.695 0.426 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -2.503 -3.650 -0.340 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -1.918 -2.624 0.463 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -1.949 -3.117 1.750 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -2.688 -3.631 -1.833 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -3.691 -2.786 -2.204 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -2.994 -4.847 -2.362 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -1.571 -3.202 -2.483 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -4.200 -5.137 3.305 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -2.782 -5.255 2.776 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.774 0.663 0.750 0.00 0.00 +0.244 C ATOM 19 N LIG 1 2.468 1.636 0.060 0.00 0.00 -0.307 N ATOM 20 H LIG 1 2.130 1.938 -0.842 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 2.230 0.076 1.726 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.834 1.963 0.399 0.00 0.00 +0.141 C BRANCH 22 23 ATOM 23 C LIG 1 4.757 1.142 -0.459 0.00 0.00 -0.014 A ATOM 24 C LIG 1 5.349 0.022 -0.012 0.00 0.00 +0.094 A ATOM 25 N LIG 1 6.210 -0.717 -0.808 0.00 0.00 -0.318 N ATOM 26 C LIG 1 6.794 -1.927 -0.255 0.00 0.00 +0.152 C ATOM 27 C LIG 1 6.515 -0.348 -2.116 0.00 0.00 +0.251 A ATOM 28 O LIG 1 7.265 -0.961 -2.870 0.00 0.00 -0.268 OA ATOM 29 C LIG 1 5.862 0.897 -2.604 0.00 0.00 +0.070 A ATOM 30 C LIG 1 5.036 1.589 -1.810 0.00 0.00 +0.012 A ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 31 ATOM 31 C LIG 1 -2.428 1.803 -1.829 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -2.952 2.875 -1.012 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -2.330 4.118 -0.871 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -1.240 4.503 -1.433 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -1.044 5.461 -1.141 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -3.156 4.816 0.018 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -2.878 6.126 0.550 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -4.204 3.997 0.419 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -4.083 2.820 -0.210 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8