REMARK Name = BDB043120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.279 0.641 1.032 0.00 0.00 +0.201 C ATOM 2 C LIG 1 -1.393 -0.895 1.263 0.00 0.00 +0.166 C ATOM 3 N LIG 1 -2.700 -1.503 0.960 0.00 0.00 -0.290 N ATOM 4 C LIG 1 -2.748 -2.889 0.823 0.00 0.00 +0.249 C ATOM 5 O LIG 1 -1.774 -3.631 0.892 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 -3.850 -0.643 0.853 0.00 0.00 +0.080 C ATOM 7 C LIG 1 -3.777 0.789 1.309 0.00 0.00 +0.016 C ATOM 8 C LIG 1 -4.603 -0.203 2.079 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -2.455 1.277 1.826 0.00 0.00 +0.064 C ENDROOT BRANCH 1 14 ATOM 10 N LIG 1 3.855 0.738 -0.439 0.00 0.00 -0.324 N ATOM 11 C LIG 1 3.644 1.610 0.738 0.00 0.00 +0.124 C ATOM 12 C LIG 1 2.549 1.097 1.694 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.283 0.766 1.016 0.00 0.00 -0.295 N ATOM 14 C LIG 1 0.088 1.043 1.670 0.00 0.00 +0.261 C ATOM 15 O LIG 1 0.101 1.574 2.788 0.00 0.00 -0.271 OA ATOM 16 C LIG 1 1.428 0.273 -0.366 0.00 0.00 +0.127 C ATOM 17 C LIG 1 2.828 -0.302 -0.650 0.00 0.00 +0.124 C BRANCH 10 19 ATOM 18 C LIG 1 5.845 -0.537 0.398 0.00 0.00 +0.141 A ATOM 19 C LIG 1 5.162 0.221 -0.584 0.00 0.00 +0.072 A ATOM 20 C LIG 1 5.800 0.467 -1.811 0.00 0.00 +0.027 A ATOM 21 C LIG 1 7.086 -0.006 -2.066 0.00 0.00 +0.002 A ATOM 22 C LIG 1 7.755 -0.740 -1.094 0.00 0.00 +0.004 A ATOM 23 C LIG 1 7.139 -1.006 0.131 0.00 0.00 +0.047 A BRANCH 18 25 ATOM 24 C LIG 1 5.825 -1.553 2.563 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.169 -0.778 1.569 0.00 0.00 -0.493 OA ENDBRANCH 18 25 ENDBRANCH 10 19 ENDBRANCH 1 14 BRANCH 4 26 ATOM 26 C LIG 1 -4.048 -3.515 0.546 0.00 0.00 +0.067 A ATOM 27 C LIG 1 -4.343 -4.072 -0.702 0.00 0.00 +0.070 A ATOM 28 C LIG 1 -5.591 -4.689 -0.866 0.00 0.00 +0.033 A ATOM 29 C LIG 1 -6.473 -4.717 0.204 0.00 0.00 +0.111 A ATOM 30 N LIG 1 -6.197 -4.188 1.414 0.00 0.00 -0.262 NA ATOM 31 C LIG 1 -4.982 -3.610 1.566 0.00 0.00 +0.124 A BRANCH 27 32 ATOM 32 C LIG 1 -3.350 -4.028 -1.828 0.00 0.00 +0.418 C ATOM 33 F LIG 1 -2.762 -2.810 -1.981 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -3.929 -4.294 -3.036 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -2.349 -4.936 -1.700 0.00 0.00 -0.166 F ENDBRANCH 27 32 ENDBRANCH 4 26 BRANCH 1 36 ATOM 36 O LIG 1 -1.417 0.871 -0.375 0.00 0.00 -0.475 OA BRANCH 36 37 ATOM 37 C LIG 1 -1.412 2.123 -0.914 0.00 0.00 +0.122 A ATOM 38 C LIG 1 -0.977 3.297 -0.304 0.00 0.00 +0.046 A ATOM 39 C LIG 1 -1.012 4.510 -1.003 0.00 0.00 +0.016 A ATOM 40 C LIG 1 -1.481 4.568 -2.323 0.00 0.00 +0.055 A ATOM 41 C LIG 1 -1.898 3.381 -2.938 0.00 0.00 +0.016 A ATOM 42 C LIG 1 -1.862 2.173 -2.236 0.00 0.00 +0.046 A BRANCH 40 43 ATOM 43 C LIG 1 -1.494 5.873 -3.081 0.00 0.00 +0.417 C ATOM 44 F LIG 1 -1.647 6.959 -2.273 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -0.341 6.081 -3.774 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.500 5.948 -3.997 0.00 0.00 -0.166 F ENDBRANCH 40 43 ENDBRANCH 36 37 ENDBRANCH 1 36 TORSDOF 8