REMARK Name = BDB009453 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.551 -3.132 0.280 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.853 -3.782 -0.913 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.112 -4.340 -1.658 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.168 -3.851 -1.359 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.190 -3.271 -0.603 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.905 -2.625 0.611 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.577 -2.583 1.060 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 -5.881 -0.267 0.694 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -4.973 0.471 0.304 0.00 0.00 +0.265 C ATOM 10 N LIG 1 -3.621 0.136 0.510 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -3.341 -1.008 1.390 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.150 -2.307 0.596 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.806 -2.402 0.013 0.00 0.00 -0.296 N ATOM 14 C LIG 1 -0.832 -3.053 0.778 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -1.048 -3.527 1.892 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -1.488 -1.411 -1.018 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -1.238 -0.033 -0.402 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -2.520 0.779 -0.210 0.00 0.00 +0.110 C BRANCH 9 19 ATOM 19 C LIG 1 -5.362 1.740 -0.406 0.00 0.00 +0.126 A ATOM 20 N LIG 1 -4.485 2.779 -0.411 0.00 0.00 -0.250 NA ATOM 21 C LIG 1 -4.889 3.916 -1.019 0.00 0.00 +0.111 A ATOM 22 C LIG 1 -6.125 4.074 -1.624 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -7.010 3.002 -1.603 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -6.629 1.817 -0.980 0.00 0.00 +0.033 A ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 4.015 -2.010 1.435 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 4.775 -0.921 0.686 0.00 0.00 +0.087 A ATOM 27 C LIG 1 4.200 0.470 0.635 0.00 0.00 +0.059 A ATOM 28 N LIG 1 2.974 0.779 1.215 0.00 0.00 -0.342 N ATOM 29 H LIG 1 2.333 -0.006 1.282 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 2.318 2.049 0.921 0.00 0.00 +0.102 C ATOM 31 C LIG 1 3.362 3.162 0.888 0.00 0.00 +0.023 C ATOM 32 C LIG 1 4.495 2.829 -0.092 0.00 0.00 +0.044 C ATOM 33 C LIG 1 4.939 1.396 0.005 0.00 0.00 +0.041 A ATOM 34 C LIG 1 6.221 1.024 -0.635 0.00 0.00 +0.270 A ATOM 35 O LIG 1 6.905 1.848 -1.234 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 6.586 -0.291 -0.530 0.00 0.00 -0.243 N ATOM 37 H LIG 1 7.466 -0.563 -0.957 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 5.897 -1.265 0.124 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4