REMARK Name = BDB013893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.796 -2.104 -0.018 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -1.936 -1.111 -1.191 0.00 0.00 +0.240 C ATOM 3 O LIG 1 -3.025 -0.995 -1.766 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.794 -0.389 -1.558 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.526 -0.807 -1.175 0.00 0.00 +0.043 A ATOM 6 C LIG 1 0.886 -2.171 -1.144 0.00 0.00 -0.026 A ATOM 7 C LIG 1 2.189 -2.536 -0.766 0.00 0.00 +0.009 A ATOM 8 C LIG 1 3.134 -1.568 -0.423 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.786 -0.223 -0.443 0.00 0.00 +0.123 A ATOM 10 C LIG 1 -0.085 -3.255 -1.534 0.00 0.00 +0.039 C ATOM 11 C LIG 1 1.484 0.143 -0.804 0.00 0.00 +0.069 A ATOM 12 C LIG 1 -1.199 -3.425 -0.506 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -3.567 -1.625 1.637 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -3.136 -2.330 0.529 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -3.845 -2.521 -0.172 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -2.813 -0.980 2.363 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -5.091 -1.708 1.883 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -5.784 -0.662 1.013 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -5.069 -2.576 4.151 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -5.409 -1.438 3.303 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -4.831 -0.643 3.592 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.925 0.529 -2.709 0.00 0.00 +0.149 C BRANCH 22 23 ATOM 23 C LIG 1 -0.461 1.967 -2.515 0.00 0.00 -0.019 A ATOM 24 C LIG 1 -1.151 2.840 -1.609 0.00 0.00 -0.013 A ATOM 25 C LIG 1 -0.673 4.164 -1.433 0.00 0.00 -0.018 A ATOM 26 C LIG 1 -1.316 5.044 -0.546 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -2.439 4.645 0.174 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -2.933 3.361 0.012 0.00 0.00 +0.001 A ATOM 29 C LIG 1 0.442 4.606 -2.149 0.00 0.00 +0.009 A ATOM 30 C LIG 1 1.091 3.769 -3.051 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.301 2.477 -0.867 0.00 0.00 +0.009 A ATOM 32 C LIG 1 0.652 2.455 -3.252 0.00 0.00 -0.045 A ATOM 33 C LIG 1 1.395 1.613 -4.256 0.00 0.00 +0.044 C ENDBRANCH 22 23 ENDBRANCH 4 22 BRANCH 9 34 ATOM 34 O LIG 1 3.598 0.822 -0.102 0.00 0.00 -0.487 OA BRANCH 34 35 ATOM 35 C LIG 1 5.008 0.596 -0.031 0.00 0.00 +0.264 C BRANCH 35 36 ATOM 36 C LIG 1 5.477 0.108 1.322 0.00 0.00 -0.010 A ATOM 37 C LIG 1 4.801 0.457 2.500 0.00 0.00 +0.007 A ATOM 38 C LIG 1 5.267 0.024 3.742 0.00 0.00 +0.000 A ATOM 39 C LIG 1 6.421 -0.752 3.823 0.00 0.00 +0.000 A ATOM 40 C LIG 1 7.112 -1.093 2.662 0.00 0.00 +0.000 A ATOM 41 C LIG 1 6.647 -0.660 1.418 0.00 0.00 +0.007 A ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 9 34 TORSDOF 8