REMARK Name = BDB061695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.969 -2.407 -0.357 0.00 0.00 +0.131 A ATOM 2 N LIG 1 -1.695 -2.650 -0.692 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -0.875 -1.602 -0.842 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -1.255 -0.335 -0.643 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -2.513 -0.090 -0.245 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -3.413 -1.127 -0.105 0.00 0.00 +0.087 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.908 1.228 -0.020 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -1.933 2.269 -0.383 0.00 0.00 +0.122 C ATOM 9 C LIG 1 -2.546 3.674 -0.180 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -3.043 3.957 1.185 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -2.185 4.904 1.891 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.207 2.716 1.970 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.756 1.524 1.151 0.00 0.00 +0.122 C ENDBRANCH 5 7 BRANCH 1 14 ATOM 14 N LIG 1 -3.785 -3.540 -0.256 0.00 0.00 -0.285 N ATOM 15 H LIG 1 -3.200 -4.371 -0.317 0.00 0.00 +0.155 HD BRANCH 14 21 ATOM 16 C LIG 1 -8.507 -5.105 -0.217 0.00 0.00 +0.067 C ATOM 17 C LIG 1 -7.245 -4.345 -0.381 0.00 0.00 +0.062 A ATOM 18 N LIG 1 -7.259 -3.124 -0.929 0.00 0.00 -0.178 NA ATOM 19 N LIG 1 -5.965 -2.761 -0.938 0.00 0.00 -0.264 N ATOM 20 H LIG 1 -5.720 -1.886 -1.383 0.00 0.00 +0.190 HD ATOM 21 C LIG 1 -5.127 -3.678 -0.360 0.00 0.00 +0.120 A ATOM 22 C LIG 1 -5.934 -4.742 -0.029 0.00 0.00 +0.068 A ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 3 23 ATOM 23 N LIG 1 0.427 -1.933 -1.210 0.00 0.00 -0.284 N ATOM 24 H LIG 1 0.494 -2.936 -1.302 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 1.559 -1.190 -1.559 0.00 0.00 +0.034 A ATOM 26 C LIG 1 1.577 0.203 -1.665 0.00 0.00 +0.023 A ATOM 27 C LIG 1 2.750 0.896 -1.988 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.947 0.206 -2.200 0.00 0.00 -0.039 A ATOM 29 C LIG 1 3.945 -1.188 -2.097 0.00 0.00 +0.006 A ATOM 30 C LIG 1 2.767 -1.871 -1.775 0.00 0.00 +0.023 A BRANCH 28 31 ATOM 31 C LIG 1 5.221 0.951 -2.519 0.00 0.00 +0.131 C BRANCH 31 32 ATOM 32 C LIG 1 6.312 0.836 -1.458 0.00 0.00 +0.222 C ATOM 33 N LIG 1 5.851 0.984 -0.160 0.00 0.00 -0.285 N ATOM 34 H LIG 1 4.846 1.048 -0.044 0.00 0.00 +0.155 HD ATOM 35 O LIG 1 7.483 0.684 -1.796 0.00 0.00 -0.275 OA BRANCH 33 36 ATOM 36 C LIG 1 6.606 0.979 1.031 0.00 0.00 +0.036 A ATOM 37 C LIG 1 5.898 1.079 2.233 0.00 0.00 +0.061 A ATOM 38 C LIG 1 6.582 1.085 3.446 0.00 0.00 +0.125 A ATOM 39 F LIG 1 5.889 1.181 4.589 0.00 0.00 -0.205 F ATOM 40 C LIG 1 7.966 0.994 3.492 0.00 0.00 +0.038 A ATOM 41 C LIG 1 8.678 0.895 2.301 0.00 0.00 +0.005 A ATOM 42 C LIG 1 8.001 0.888 1.075 0.00 0.00 +0.023 A ENDBRANCH 33 36 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 23 25 ENDBRANCH 3 23 TORSDOF 8