REMARK Name = BDB037443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.578 -2.688 -0.237 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.432 -1.572 -0.189 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.374 -0.572 0.773 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -2.030 0.529 0.163 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -2.560 0.170 -1.017 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 -0.564 -0.853 1.997 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.775 -1.458 1.534 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.454 -1.183 -1.044 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.491 -2.740 0.700 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.274 -3.693 0.741 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.580 0.313 2.961 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.737 0.531 3.741 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.789 1.555 4.689 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.677 2.361 4.882 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.723 3.347 5.787 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.482 2.159 4.146 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.531 1.139 3.191 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.419 -1.945 -1.754 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.103 -1.361 -2.829 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.083 -2.084 -3.510 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.401 -3.381 -3.108 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.750 -3.952 -2.015 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.767 -3.235 -1.330 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 1.569 -0.582 0.647 0.00 0.00 -0.299 N ATOM 25 H LIG 1 1.186 -0.432 -0.279 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.936 -0.483 0.789 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.543 -0.899 1.768 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.673 0.169 -0.328 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.016 -0.179 -0.528 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.761 0.402 -1.567 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.144 1.357 -2.390 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.810 1.716 -2.186 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.075 1.127 -1.156 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.212 0.035 -1.764 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.043 0.767 -0.974 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.474 -1.271 -1.482 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.642 0.231 -3.042 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.474 -3.074 -2.442 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.463 -3.614 -1.368 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.150 1.968 0.555 0.00 0.00 +0.077 C BRANCH 40 41 ATOM 41 C LIG 1 -0.967 2.796 0.046 0.00 0.00 +0.122 C BRANCH 41 42 ATOM 42 N LIG 1 -1.151 4.256 0.317 0.00 0.00 -0.272 N ATOM 43 C LIG 1 -0.742 4.661 1.681 0.00 0.00 +0.141 C BRANCH 42 44 ATOM 44 C LIG 1 -1.931 5.033 -0.453 0.00 0.00 +0.169 C ATOM 45 N LIG 1 -2.607 5.700 -1.114 0.00 0.00 -0.174 NA ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10