REMARK Name = BDB037342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.516 -2.493 -1.025 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -1.694 -2.317 -0.256 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -3.119 -1.946 -0.495 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -3.447 -0.727 0.383 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -3.103 -1.046 1.870 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -1.955 -1.837 2.151 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -3.739 -0.496 2.777 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.257 -2.383 1.057 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -0.028 -3.031 0.993 0.00 0.00 -0.218 N ATOM 10 N LIG 1 0.514 -2.866 -0.242 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -3.442 -1.963 -1.974 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -3.687 -0.802 -2.724 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -4.001 -0.879 -4.084 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -4.084 -2.116 -4.705 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -4.384 -2.186 -6.008 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.864 -3.284 -3.990 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -3.551 -3.209 -2.632 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 0.629 -3.882 1.919 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -0.105 -4.628 2.847 0.00 0.00 +0.028 A ATOM 20 C LIG 1 0.554 -5.481 3.735 0.00 0.00 +0.002 A ATOM 21 C LIG 1 1.941 -5.610 3.683 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.673 -4.900 2.732 0.00 0.00 +0.002 A ATOM 23 C LIG 1 2.019 -4.046 1.841 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -2.731 0.510 0.033 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -1.718 0.479 0.010 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -3.351 1.735 0.173 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -4.548 1.861 0.404 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.495 2.945 0.047 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -2.884 4.108 0.728 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -2.114 5.281 0.644 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -0.959 5.277 -0.152 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -0.580 4.125 -0.843 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -1.345 2.963 -0.746 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -2.551 6.530 1.367 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -3.114 6.275 2.581 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -3.476 7.241 0.665 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -1.525 7.394 1.613 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -1.432 -1.725 3.516 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -2.266 -2.464 4.556 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 -0.271 -2.269 -2.494 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 1.284 -0.394 -2.426 0.00 0.00 +0.241 C ATOM 42 N LIG 1 1.065 -1.731 -2.669 0.00 0.00 -0.306 N ATOM 43 H LIG 1 1.810 -2.361 -2.402 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 0.390 0.436 -2.318 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 3.625 -0.452 -3.115 0.00 0.00 +0.019 C ATOM 46 C LIG 1 2.718 -0.059 -2.202 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 3.060 0.620 -0.900 0.00 0.00 +0.124 C BRANCH 47 48 ATOM 48 N LIG 1 2.761 2.052 -0.840 0.00 0.00 -0.293 NA ATOM 49 C LIG 1 3.539 2.905 -1.764 0.00 0.00 +0.116 C ATOM 50 C LIG 1 4.775 3.613 -1.154 0.00 0.00 +0.133 C ATOM 51 O LIG 1 4.337 4.367 -0.004 0.00 0.00 -0.371 OA ATOM 52 C LIG 1 4.077 3.326 0.961 0.00 0.00 +0.133 C ATOM 53 C LIG 1 5.326 2.458 0.872 0.00 0.00 +0.035 C ATOM 54 C LIG 1 5.803 2.658 -0.562 0.00 0.00 +0.035 C ATOM 55 C LIG 1 2.777 2.597 0.536 0.00 0.00 +0.116 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11