REMARK Name = BDB037473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.399 2.619 -0.454 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.044 1.400 -0.178 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.761 0.217 -0.834 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.094 -0.787 0.113 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.844 -0.263 1.099 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 -0.032 0.304 -2.132 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.191 1.204 -1.901 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.987 1.052 0.781 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.717 2.585 -1.342 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.389 3.597 -1.566 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.067 -1.059 -2.782 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.115 -1.713 -3.197 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.070 -2.963 -3.816 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.158 -3.566 -4.044 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.203 -4.767 -4.636 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.338 -2.936 -3.676 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.294 -1.683 -3.057 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 4 18 ATOM 18 C LIG 1 -0.647 -2.189 0.177 0.00 0.00 +0.268 C ATOM 19 N LIG 1 -1.554 -3.104 0.650 0.00 0.00 -0.280 N ATOM 20 C LIG 1 -3.004 -3.042 0.804 0.00 0.00 +0.181 C ATOM 21 C LIG 1 -3.013 -4.514 0.346 0.00 0.00 +0.057 C ATOM 22 C LIG 1 -1.493 -4.550 0.534 0.00 0.00 +0.112 C ATOM 23 O LIG 1 0.497 -2.510 -0.138 0.00 0.00 -0.268 OA BRANCH 20 24 ATOM 24 C LIG 1 -3.427 -2.810 2.174 0.00 0.00 +0.085 C ATOM 25 N LIG 1 -3.791 -2.651 3.265 0.00 0.00 -0.195 NA ENDBRANCH 20 24 ENDBRANCH 4 18 BRANCH 8 26 ATOM 26 C LIG 1 -3.075 1.777 1.330 0.00 0.00 +0.067 A ATOM 27 C LIG 1 -3.651 2.841 0.628 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.744 3.523 1.167 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -5.278 3.133 2.394 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.731 2.049 3.079 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -3.638 1.363 2.546 0.00 0.00 +0.028 A ENDBRANCH 8 26 BRANCH 7 32 ATOM 32 N LIG 1 2.172 0.661 -0.952 0.00 0.00 -0.299 N ATOM 33 H LIG 1 1.830 0.271 -0.083 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 3.527 0.729 -1.187 0.00 0.00 +0.245 C ATOM 35 O LIG 1 4.004 1.089 -2.256 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 4.418 0.278 -0.082 0.00 0.00 +0.037 A ATOM 37 C LIG 1 4.052 0.388 1.266 0.00 0.00 +0.025 A ATOM 38 C LIG 1 4.926 -0.042 2.280 0.00 0.00 +0.056 A ATOM 39 C LIG 1 6.169 -0.589 1.922 0.00 0.00 +0.012 A ATOM 40 C LIG 1 6.542 -0.685 0.581 0.00 0.00 +0.001 A ATOM 41 C LIG 1 5.672 -0.247 -0.417 0.00 0.00 +0.013 A BRANCH 38 42 ATOM 42 C LIG 1 4.535 0.057 3.735 0.00 0.00 +0.417 C ATOM 43 F LIG 1 4.149 -1.142 4.250 0.00 0.00 -0.166 F ATOM 44 F LIG 1 5.551 0.498 4.527 0.00 0.00 -0.166 F ATOM 45 F LIG 1 3.495 0.910 3.954 0.00 0.00 -0.166 F ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 7 32 BRANCH 1 47 ATOM 46 C LIG 1 -1.071 5.029 -0.453 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -0.536 3.844 0.342 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 8