REMARK Name = BDB037606 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.055 -2.954 0.157 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.884 -1.823 0.196 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.615 -0.680 0.926 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -1.370 0.338 0.280 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.182 -0.208 -0.651 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.425 -0.768 1.993 0.00 0.00 +0.102 C ATOM 7 C LIG 1 1.639 -1.491 1.395 0.00 0.00 +0.173 C ATOM 8 N LIG 1 -2.077 -1.548 -0.456 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.198 -2.872 0.826 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.990 -3.819 0.824 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.246 1.804 0.399 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.412 2.552 0.441 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -2.364 4.010 0.463 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -3.792 4.414 0.075 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -4.641 3.283 0.651 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -3.780 2.055 0.393 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -0.141 2.345 0.400 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -2.020 4.544 1.800 0.00 0.00 +0.085 C ATOM 19 N LIG 1 -1.803 4.985 2.853 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.582 0.543 2.724 0.00 0.00 +0.051 A ATOM 21 N LIG 1 -0.536 1.000 3.363 0.00 0.00 -0.256 NA ATOM 22 C LIG 1 -0.420 2.133 4.104 0.00 0.00 +0.149 A ATOM 23 C LIG 1 0.761 2.830 4.256 0.00 0.00 +0.141 A ATOM 24 F LIG 1 0.821 3.928 5.019 0.00 0.00 -0.204 F ATOM 25 C LIG 1 1.895 2.360 3.619 0.00 0.00 +0.041 A ATOM 26 C LIG 1 1.809 1.199 2.849 0.00 0.00 +0.027 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -3.174 -2.386 -0.779 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -4.088 -1.978 -1.761 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -5.196 -2.773 -2.059 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -5.409 -3.963 -1.364 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.522 -4.356 -0.362 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -3.410 -3.566 -0.060 0.00 0.00 +0.028 A ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 2.286 -0.774 0.283 0.00 0.00 -0.299 N ATOM 34 H LIG 1 1.701 -0.471 -0.486 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.654 -0.666 0.186 0.00 0.00 +0.245 C ATOM 36 O LIG 1 4.414 -0.951 1.103 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 4.191 -0.112 -1.087 0.00 0.00 +0.037 A ATOM 38 C LIG 1 5.409 0.582 -1.046 0.00 0.00 +0.025 A ATOM 39 C LIG 1 5.968 1.121 -2.216 0.00 0.00 +0.056 A ATOM 40 C LIG 1 5.283 0.959 -3.430 0.00 0.00 +0.012 A ATOM 41 C LIG 1 4.080 0.252 -3.478 0.00 0.00 +0.001 A ATOM 42 C LIG 1 3.536 -0.287 -2.312 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 7.263 1.894 -2.158 0.00 0.00 +0.417 C ATOM 44 F LIG 1 7.066 3.205 -1.845 0.00 0.00 -0.166 F ATOM 45 F LIG 1 8.133 1.412 -1.229 0.00 0.00 -0.166 F ATOM 46 F LIG 1 7.941 1.890 -3.340 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 0.465 -3.749 -2.127 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.192 -4.065 -0.789 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8