REMARK Name = BDB037352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.213 -2.561 -0.323 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.091 -1.638 0.262 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.781 -0.318 0.520 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.017 0.318 0.825 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.022 -0.576 0.756 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.603 0.218 0.399 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.605 -0.960 0.414 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.414 -1.790 0.656 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.132 -2.157 -0.453 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.939 -2.759 -1.171 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.209 1.745 1.173 0.00 0.00 +0.267 C ATOM 12 N LIG 1 -3.455 2.329 0.979 0.00 0.00 -0.295 N ATOM 13 C LIG 1 -4.620 1.752 0.316 0.00 0.00 +0.126 C ATOM 14 C LIG 1 -5.575 2.924 0.085 0.00 0.00 +0.110 C ATOM 15 C LIG 1 -5.177 3.913 1.183 0.00 0.00 +0.039 C ATOM 16 C LIG 1 -3.672 3.723 1.308 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -1.278 2.405 1.635 0.00 0.00 -0.268 OA BRANCH 14 18 ATOM 18 C LIG 1 -5.393 3.501 -1.256 0.00 0.00 +0.067 C ATOM 19 N LIG 1 -5.266 3.959 -2.314 0.00 0.00 -0.196 NA ENDBRANCH 14 18 ENDBRANCH 4 11 BRANCH 6 20 ATOM 20 C LIG 1 0.634 1.090 -0.854 0.00 0.00 -0.037 A ATOM 21 C LIG 1 0.349 0.612 -2.145 0.00 0.00 +0.007 A ATOM 22 C LIG 1 0.423 1.458 -3.254 0.00 0.00 +0.038 A ATOM 23 C LIG 1 0.785 2.787 -3.084 0.00 0.00 +0.123 A ATOM 24 F LIG 1 0.861 3.593 -4.151 0.00 0.00 -0.205 F ATOM 25 C LIG 1 1.074 3.289 -1.823 0.00 0.00 +0.038 A ATOM 26 C LIG 1 1.000 2.444 -0.715 0.00 0.00 +0.007 A ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 -3.114 -2.946 1.101 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -4.517 -2.940 1.112 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -5.219 -4.054 1.574 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -4.528 -5.169 2.047 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.134 -5.168 2.070 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -2.425 -4.057 1.606 0.00 0.00 +0.028 A ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 2.961 -0.590 0.005 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.364 -1.131 -0.753 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.752 0.220 0.782 0.00 0.00 +0.245 C ATOM 36 O LIG 1 3.381 0.681 1.855 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 5.122 0.499 0.273 0.00 0.00 +0.037 A ATOM 38 C LIG 1 6.127 0.808 1.199 0.00 0.00 +0.025 A ATOM 39 C LIG 1 7.436 1.084 0.770 0.00 0.00 +0.056 A ATOM 40 C LIG 1 7.715 1.069 -0.605 0.00 0.00 +0.012 A ATOM 41 C LIG 1 6.712 0.779 -1.531 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.416 0.497 -1.096 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 8.510 1.430 1.772 0.00 0.00 +0.417 C ATOM 44 F LIG 1 8.514 2.752 2.092 0.00 0.00 -0.166 F ATOM 45 F LIG 1 8.378 0.757 2.949 0.00 0.00 -0.166 F ATOM 46 F LIG 1 9.767 1.149 1.326 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -0.932 -3.260 -2.598 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.649 -3.684 -1.162 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8