REMARK Name = BDB047593 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.402 0.452 0.328 0.00 0.00 +0.078 C ATOM 2 C LIG 1 -1.149 -0.688 -0.665 0.00 0.00 +0.032 C ATOM 3 C LIG 1 -0.350 -0.194 -1.866 0.00 0.00 +0.109 C ATOM 4 N LIG 1 0.883 0.484 -1.475 0.00 0.00 -0.297 N ATOM 5 C LIG 1 1.843 0.624 -2.494 0.00 0.00 +0.247 C ATOM 6 O LIG 1 1.661 0.252 -3.652 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 0.738 1.526 -0.453 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -0.050 1.039 0.755 0.00 0.00 +0.032 C ENDROOT BRANCH 1 17 ATOM 9 C LIG 1 -8.469 -0.921 -0.001 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -7.951 0.064 -0.861 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -6.611 0.453 -0.740 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -5.779 -0.112 0.241 0.00 0.00 -0.023 A ATOM 13 C LIG 1 -4.337 0.334 0.328 0.00 0.00 +0.143 C ATOM 14 N LIG 1 -3.546 -0.307 1.379 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -4.289 -0.750 2.558 0.00 0.00 +0.113 C ATOM 16 C LIG 1 -5.435 -1.682 2.178 0.00 0.00 +0.054 C ATOM 17 C LIG 1 -2.183 -0.057 1.541 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -1.608 -0.270 2.608 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -6.311 -1.066 1.119 0.00 0.00 -0.038 A ATOM 20 C LIG 1 -7.645 -1.477 0.983 0.00 0.00 +0.053 A BRANCH 9 22 ATOM 21 C LIG 1 -10.270 -2.408 0.489 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -9.786 -1.258 -0.188 0.00 0.00 -0.491 OA ENDBRANCH 9 22 BRANCH 10 23 ATOM 23 O LIG 1 -8.827 0.574 -1.785 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 -8.352 1.587 -2.659 0.00 0.00 +0.277 C ENDBRANCH 10 23 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 3.143 1.249 -2.159 0.00 0.00 +0.037 A ATOM 26 C LIG 1 3.896 0.786 -1.071 0.00 0.00 +0.017 A ATOM 27 C LIG 1 5.120 1.392 -0.755 0.00 0.00 -0.041 A ATOM 28 C LIG 1 5.586 2.445 -1.561 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.845 2.884 -2.663 0.00 0.00 +0.001 A ATOM 30 C LIG 1 3.624 2.283 -2.966 0.00 0.00 +0.013 A BRANCH 27 31 ATOM 31 C LIG 1 5.937 0.907 0.421 0.00 0.00 +0.093 C BRANCH 31 32 ATOM 32 C LIG 1 7.094 -0.029 0.082 0.00 0.00 +0.074 A ATOM 33 C LIG 1 7.876 -0.613 1.205 0.00 0.00 +0.011 A ATOM 34 C LIG 1 8.934 -1.458 0.877 0.00 0.00 +0.050 A ATOM 35 C LIG 1 9.715 -2.045 1.880 0.00 0.00 +0.014 A ATOM 36 C LIG 1 9.434 -1.784 3.220 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.378 -0.939 3.556 0.00 0.00 +0.001 A ATOM 38 C LIG 1 9.228 -1.726 -0.539 0.00 0.00 +0.272 A ATOM 39 O LIG 1 10.152 -2.458 -0.874 0.00 0.00 -0.266 OA ATOM 40 N LIG 1 8.410 -1.107 -1.450 0.00 0.00 -0.242 N ATOM 41 H LIG 1 8.590 -1.279 -2.434 0.00 0.00 +0.192 HD ATOM 42 C LIG 1 7.600 -0.350 2.553 0.00 0.00 +0.010 A ATOM 43 N LIG 1 7.373 -0.278 -1.163 0.00 0.00 -0.175 NA ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 5 25 TORSDOF 6