REMARK Name = BDB010775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.394 -1.910 0.598 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.204 -1.331 1.037 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.311 -1.663 2.280 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.457 -0.977 2.546 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 1.698 -0.239 1.480 0.00 0.00 +0.117 A ATOM 6 N LIG 1 -0.245 -2.548 3.118 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.349 -3.097 2.609 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.717 -0.439 0.521 0.00 0.00 -0.319 N ATOM 9 N LIG 1 -1.944 -2.835 1.412 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.900 0.667 1.333 0.00 0.00 +0.063 C ATOM 11 C LIG 1 4.194 -0.170 1.115 0.00 0.00 +0.029 C ATOM 12 C LIG 1 5.476 0.598 1.519 0.00 0.00 +0.009 C ATOM 13 C LIG 1 5.298 2.113 1.512 0.00 0.00 +0.001 C ATOM 14 C LIG 1 4.178 2.567 2.445 0.00 0.00 +0.001 C ATOM 15 C LIG 1 3.043 1.551 2.583 0.00 0.00 +0.012 C BRANCH 11 16 ATOM 16 C LIG 1 4.249 -0.728 -0.305 0.00 0.00 -0.044 A ATOM 17 C LIG 1 4.631 0.051 -1.406 0.00 0.00 +0.004 A ATOM 18 C LIG 1 4.626 -0.486 -2.696 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.235 -1.806 -2.903 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.852 -2.594 -1.821 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.859 -2.059 -0.532 0.00 0.00 +0.004 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.002 -1.587 -0.606 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.847 -0.620 -0.867 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -3.620 -1.975 -2.353 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.387 -2.010 -0.841 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.369 -1.121 -0.066 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.438 0.407 -0.352 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.929 0.335 0.034 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.893 -1.152 -0.380 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -2.060 -4.141 3.428 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -1.744 -4.536 4.537 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -3.146 -4.615 2.751 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -3.198 -4.164 1.875 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 0.717 0.100 -0.834 0.00 0.00 +0.158 C BRANCH 34 35 ATOM 35 C LIG 1 -0.234 1.262 -1.030 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.783 1.470 -2.307 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -1.661 2.529 -2.546 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -2.005 3.415 -1.517 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -1.433 3.230 -0.250 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.553 2.170 -0.010 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -2.952 4.566 -1.758 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -2.326 5.773 -1.706 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.569 4.514 -2.972 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.953 4.619 -0.835 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10