REMARK Name = BDB037415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.274 -0.463 -1.543 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -1.172 -0.548 -0.663 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.095 0.225 -0.567 0.00 0.00 +0.083 C ATOM 4 C LIG 1 0.744 -0.040 0.808 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.712 -1.549 1.184 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.526 -2.212 1.032 0.00 0.00 -0.254 N ATOM 7 O LIG 1 1.714 -2.118 1.627 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.460 -1.605 0.178 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -2.794 -1.922 -0.059 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -3.209 -1.375 -1.237 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.944 -0.131 -1.782 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.369 -1.439 -2.077 0.00 0.00 +0.007 A ATOM 13 C LIG 1 2.170 -1.695 -3.192 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.556 -0.649 -4.019 0.00 0.00 +0.123 A ATOM 15 F LIG 1 3.323 -0.900 -5.087 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.156 0.652 -3.752 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.355 0.910 -2.639 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -3.758 -2.534 0.790 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.931 -3.061 0.230 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.903 -3.636 1.050 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.720 -3.670 2.432 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.571 -3.119 2.997 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.594 -2.543 2.182 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.111 0.483 0.896 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.803 -0.033 0.364 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.550 1.110 2.043 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.811 1.422 2.969 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.012 1.383 2.123 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.796 1.569 0.975 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.174 1.827 1.086 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.749 1.916 2.364 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.968 1.746 3.507 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.603 1.483 3.387 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.011 2.049 -0.150 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.320 1.716 0.021 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.579 1.323 -1.219 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.003 3.349 -0.552 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -0.563 -3.634 1.396 0.00 0.00 +0.112 C ATOM 39 C LIG 1 0.013 -4.527 0.304 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 -2.490 0.471 -2.691 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 -2.716 2.771 -1.855 0.00 0.00 +0.237 C ATOM 42 N LIG 1 -3.289 1.583 -2.224 0.00 0.00 -0.306 N ATOM 43 H LIG 1 -4.238 1.366 -1.952 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 -1.528 3.033 -1.991 0.00 0.00 -0.271 OA BRANCH 41 47 ATOM 45 C LIG 1 -4.178 5.910 -0.145 0.00 0.00 +0.035 C ATOM 46 C LIG 1 -3.273 4.901 -0.772 0.00 0.00 -0.025 C ATOM 47 C LIG 1 -3.686 3.715 -1.245 0.00 0.00 +0.063 C ENDBRANCH 41 47 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 9