REMARK Name = BDB035877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.288 1.559 2.171 0.00 0.00 +0.065 A ATOM 2 C LIG 1 0.247 0.519 1.926 0.00 0.00 +0.266 A ATOM 3 O LIG 1 0.562 -0.557 1.415 0.00 0.00 -0.267 OA ATOM 4 N LIG 1 -1.042 0.851 2.333 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -1.288 2.073 2.959 0.00 0.00 +0.176 A ATOM 6 C LIG 1 -2.697 2.316 3.380 0.00 0.00 +0.166 A ATOM 7 C LIG 1 -3.655 1.411 3.166 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -3.341 0.163 2.505 0.00 0.00 -0.014 A ATOM 9 F LIG 1 -2.961 3.487 3.991 0.00 0.00 -0.202 F ATOM 10 N LIG 1 -0.375 2.968 3.186 0.00 0.00 -0.234 NA ATOM 11 C LIG 1 -2.071 -0.065 2.122 0.00 0.00 +0.101 A ATOM 12 C LIG 1 0.896 2.688 2.773 0.00 0.00 +0.127 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 4.329 0.977 -0.043 0.00 0.00 -0.033 A ATOM 14 C LIG 1 3.015 1.243 0.409 0.00 0.00 +0.013 A ATOM 15 C LIG 1 2.686 1.358 1.768 0.00 0.00 -0.011 A ATOM 16 C LIG 1 3.698 1.248 2.724 0.00 0.00 +0.009 A ATOM 17 C LIG 1 5.008 1.008 2.321 0.00 0.00 +0.001 A ATOM 18 C LIG 1 5.311 0.869 0.963 0.00 0.00 +0.004 A BRANCH 13 22 ATOM 19 C LIG 1 7.037 2.378 -3.659 0.00 0.00 +0.007 C ATOM 20 C LIG 1 5.873 1.487 -3.273 0.00 0.00 -0.012 C ATOM 21 C LIG 1 6.107 0.511 -2.095 0.00 0.00 +0.022 C ATOM 22 C LIG 1 4.640 0.799 -1.614 0.00 0.00 +0.056 C ATOM 23 C LIG 1 4.760 2.142 -2.421 0.00 0.00 +0.022 C BRANCH 22 24 ATOM 24 C LIG 1 3.612 -0.231 -2.271 0.00 0.00 +0.144 A ATOM 25 N LIG 1 3.297 -1.491 -1.836 0.00 0.00 -0.320 N ATOM 26 C LIG 1 3.812 -2.192 -0.694 0.00 0.00 +0.151 C ATOM 27 C LIG 1 2.366 -1.967 -2.707 0.00 0.00 +0.224 A ATOM 28 N LIG 1 2.131 -1.068 -3.634 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 2.911 0.029 -3.356 0.00 0.00 -0.134 NA ENDBRANCH 22 24 ENDBRANCH 13 22 ENDBRANCH 1 15 BRANCH 8 30 ATOM 30 C LIG 1 -4.449 -0.842 2.281 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 N LIG 1 -4.701 -1.115 0.861 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -5.400 -2.402 0.698 0.00 0.00 +0.088 C ATOM 33 C LIG 1 -6.052 -2.539 -0.685 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -6.635 -3.936 -0.888 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -7.133 -1.463 -0.876 0.00 0.00 +0.006 C ATOM 36 C LIG 1 -6.847 -0.200 -0.064 0.00 0.00 +0.016 C ATOM 37 C LIG 1 -5.350 0.001 0.156 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 5