REMARK Name = BDB035293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.840 -0.864 0.144 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -1.710 -2.058 -0.467 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -2.800 -2.791 -0.804 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.078 -2.316 -0.514 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.250 -1.094 0.143 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -3.100 -0.375 0.480 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.776 0.916 1.132 0.00 0.00 +0.031 A ATOM 8 N LIG 1 3.007 -0.221 0.988 0.00 0.00 -0.353 N ATOM 9 H LIG 1 3.368 -1.169 0.992 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.700 0.132 0.787 0.00 0.00 +0.114 A ATOM 11 C LIG 1 1.634 1.506 0.812 0.00 0.00 +0.024 A ATOM 12 C LIG 1 0.366 2.118 0.620 0.00 0.00 +0.078 A ATOM 13 C LIG 1 -0.714 1.333 0.423 0.00 0.00 +0.115 A ATOM 14 N LIG 1 -0.663 -0.079 0.403 0.00 0.00 -0.265 N ATOM 15 C LIG 1 0.577 -0.765 0.591 0.00 0.00 +0.281 A ATOM 16 O LIG 1 0.746 -1.978 0.655 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 2.933 2.011 1.029 0.00 0.00 +0.034 A BRANCH 12 18 ATOM 18 C LIG 1 0.235 3.536 0.612 0.00 0.00 +0.101 C ATOM 19 N LIG 1 0.088 4.688 0.608 0.00 0.00 -0.191 NA ENDBRANCH 12 18 BRANCH 7 20 ATOM 20 C LIG 1 5.250 0.831 1.367 0.00 0.00 +0.137 C BRANCH 20 24 ATOM 21 C LIG 1 7.723 1.770 -1.039 0.00 0.00 +0.009 C ATOM 22 C LIG 1 7.298 0.347 -1.413 0.00 0.00 +0.000 C ATOM 23 C LIG 1 5.916 -0.017 -0.845 0.00 0.00 +0.088 C ATOM 24 N LIG 1 5.853 -0.265 0.604 0.00 0.00 -0.296 NA ATOM 25 C LIG 1 7.129 -0.686 1.194 0.00 0.00 +0.085 C ATOM 26 C LIG 1 7.970 -1.505 0.221 0.00 0.00 +0.016 C ATOM 27 C LIG 1 8.363 -0.686 -1.008 0.00 0.00 +0.006 C ENDBRANCH 20 24 ENDBRANCH 7 20 ENDBRANCH 1 14 BRANCH 5 28 ATOM 28 C LIG 1 -5.597 -0.591 0.474 0.00 0.00 -0.003 A ATOM 29 C LIG 1 -6.082 0.665 0.044 0.00 0.00 +0.083 A ATOM 30 C LIG 1 -7.375 1.086 0.361 0.00 0.00 +0.171 A ATOM 31 F LIG 1 -7.832 2.273 -0.064 0.00 0.00 -0.202 F ATOM 32 C LIG 1 -8.194 0.279 1.137 0.00 0.00 +0.159 A ATOM 33 F LIG 1 -9.428 0.686 1.460 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -7.744 -0.953 1.593 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.457 -1.385 1.262 0.00 0.00 +0.012 A BRANCH 29 36 ATOM 36 C LIG 1 -5.277 1.537 -0.830 0.00 0.00 +0.250 C ATOM 37 N LIG 1 -4.702 2.692 -0.292 0.00 0.00 -0.304 N ATOM 38 C LIG 1 -4.979 3.204 1.043 0.00 0.00 +0.132 C ATOM 39 C LIG 1 -4.079 3.627 -1.216 0.00 0.00 +0.132 C ATOM 40 O LIG 1 -5.133 1.175 -1.994 0.00 0.00 -0.270 OA ENDBRANCH 29 36 ENDBRANCH 5 28 BRANCH 3 41 ATOM 41 C LIG 1 -2.535 -4.110 -1.502 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -3.449 -5.303 -1.356 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -3.381 -4.570 -2.666 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 7