REMARK Name = BDB010204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.626 0.276 0.179 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.489 1.049 -0.055 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.561 2.428 0.025 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.632 3.010 -0.261 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.477 2.033 -0.499 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.676 3.111 0.320 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.723 2.309 0.510 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.820 0.811 -0.440 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.757 0.956 0.454 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 4.019 2.953 0.820 0.00 0.00 +0.220 A ATOM 11 N LIG 1 5.098 2.180 1.029 0.00 0.00 -0.269 N ATOM 12 H LIG 1 5.141 1.176 0.993 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 6.125 3.002 1.277 0.00 0.00 +0.440 A ATOM 14 O LIG 1 7.274 2.661 1.509 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.668 4.295 1.226 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.270 4.218 0.921 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.771 2.189 -0.894 0.00 0.00 -0.295 N ATOM 18 C LIG 1 -3.166 3.529 -1.422 0.00 0.00 +0.107 C ATOM 19 C LIG 1 -4.556 3.436 -2.100 0.00 0.00 +0.025 C ATOM 20 C LIG 1 -4.901 2.013 -2.526 0.00 0.00 +0.003 C ATOM 21 C LIG 1 -4.880 1.056 -1.330 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -3.869 1.468 -0.254 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 C LIG 1 -3.178 4.652 -0.366 0.00 0.00 +0.235 C ATOM 24 F LIG 1 -4.175 4.437 0.540 0.00 0.00 -0.247 F ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 25 ATOM 25 N LIG 1 1.620 -1.106 0.128 0.00 0.00 -0.324 N ATOM 26 H LIG 1 0.749 -1.498 0.469 0.00 0.00 +0.148 HD BRANCH 25 28 ATOM 27 C LIG 1 3.123 -1.765 1.986 0.00 0.00 +0.028 C ATOM 28 C LIG 1 2.772 -1.931 0.508 0.00 0.00 +0.072 C BRANCH 28 29 ATOM 29 C LIG 1 4.002 -1.718 -0.387 0.00 0.00 +0.009 C ATOM 30 C LIG 1 5.037 -2.879 -0.420 0.00 0.00 +0.005 C ATOM 31 C LIG 1 4.344 -3.396 -1.694 0.00 0.00 +0.001 C ATOM 32 C LIG 1 3.805 -1.970 -1.909 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 8 33 ATOM 33 C LIG 1 -1.316 -0.454 -0.965 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 -1.675 -1.490 0.083 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -1.913 -2.805 -0.350 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -2.244 -3.814 0.558 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -2.347 -3.534 1.927 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -2.124 -2.220 2.363 0.00 0.00 +0.013 A ATOM 39 C LIG 1 -1.794 -1.211 1.454 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -2.712 -4.609 2.921 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -2.715 -5.862 2.388 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.950 -4.425 3.455 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.851 -4.656 3.975 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 9