REMARK Name = BDB046245 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.507 -1.688 -0.524 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.523 -0.693 -0.257 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -1.960 0.593 0.201 0.00 0.00 +0.072 A ATOM 4 C LIG 1 -1.016 1.577 0.465 0.00 0.00 +0.032 A ATOM 5 C LIG 1 0.350 1.354 0.299 0.00 0.00 +0.048 A ATOM 6 C LIG 1 0.775 0.107 -0.130 0.00 0.00 +0.134 A ATOM 7 N LIG 1 -3.249 0.918 0.386 0.00 0.00 -0.245 NA ATOM 8 C LIG 1 -4.131 -0.049 0.119 0.00 0.00 +0.093 A ATOM 9 C LIG 1 -5.580 0.064 0.235 0.00 0.00 +0.071 A ATOM 10 N LIG 1 -6.137 -1.139 -0.149 0.00 0.00 -0.302 N ATOM 11 C LIG 1 -5.104 -2.106 -0.526 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.484 -1.393 -0.159 0.00 0.00 +0.259 A ATOM 13 O LIG 1 -7.979 -2.459 -0.510 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 -8.345 -0.250 0.288 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -9.810 -0.496 0.275 0.00 0.00 +0.273 C ATOM 16 O LIG 1 -10.609 0.533 0.896 0.00 0.00 -0.457 OA ATOM 17 C LIG 1 -10.092 1.649 1.449 0.00 0.00 +0.344 C ATOM 18 C LIG 1 -8.659 2.078 1.067 0.00 0.00 +0.188 C ATOM 19 O LIG 1 -10.772 2.347 2.205 0.00 0.00 -0.247 OA ATOM 20 C LIG 1 -7.792 0.921 0.654 0.00 0.00 +0.008 A ATOM 21 C LIG 1 -6.344 1.086 0.631 0.00 0.00 +0.035 A ATOM 22 C LIG 1 -0.136 -0.905 -0.423 0.00 0.00 +0.056 A ATOM 23 C LIG 1 -3.834 -1.330 -0.330 0.00 0.00 +0.003 A ENDROOT BRANCH 1 25 ATOM 24 C LIG 1 -2.005 -3.112 -2.534 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -2.171 -3.074 -1.022 0.00 0.00 +0.033 C ENDBRANCH 1 25 BRANCH 18 26 ATOM 26 C LIG 1 -8.730 3.201 0.009 0.00 0.00 +0.048 C ATOM 27 C LIG 1 -9.255 2.777 -1.357 0.00 0.00 +0.007 C ENDBRANCH 18 26 BRANCH 18 28 ATOM 28 O LIG 1 -8.082 2.661 2.252 0.00 0.00 -0.373 OA ATOM 29 H LIG 1 -8.797 3.176 2.678 0.00 0.00 +0.211 HD ENDBRANCH 18 28 BRANCH 6 30 ATOM 30 O LIG 1 2.135 -0.122 -0.347 0.00 0.00 -0.411 OA BRANCH 30 31 ATOM 31 C LIG 1 2.833 -0.500 0.798 0.00 0.00 +0.408 C ATOM 32 N LIG 1 4.187 -0.678 0.545 0.00 0.00 -0.267 N ATOM 33 C LIG 1 4.732 -0.620 -0.801 0.00 0.00 +0.112 C ATOM 34 C LIG 1 6.245 -0.838 -0.852 0.00 0.00 +0.038 C ATOM 35 C LIG 1 6.947 -0.011 0.244 0.00 0.00 +0.060 C ATOM 36 C LIG 1 6.381 -0.403 1.635 0.00 0.00 +0.038 C ATOM 37 C LIG 1 5.060 -1.167 1.594 0.00 0.00 +0.112 C ATOM 38 O LIG 1 2.322 -0.658 1.902 0.00 0.00 -0.226 OA BRANCH 35 39 ATOM 39 N LIG 1 8.434 -0.107 0.258 0.00 0.00 -0.299 NA ATOM 40 C LIG 1 9.043 0.002 -1.079 0.00 0.00 +0.084 C ATOM 41 C LIG 1 10.568 -0.142 -1.035 0.00 0.00 +0.015 C ATOM 42 C LIG 1 11.200 0.865 -0.087 0.00 0.00 +0.002 C ATOM 43 C LIG 1 10.535 0.778 1.278 0.00 0.00 +0.015 C ATOM 44 C LIG 1 9.016 0.909 1.163 0.00 0.00 +0.084 C ENDBRANCH 35 39 ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 6