REMARK Name = BDB000067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.374 -0.523 -0.737 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.063 0.374 -0.509 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.539 0.613 -0.650 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.755 -0.546 -0.432 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.389 -1.714 0.030 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.767 -1.762 0.289 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -4.413 -2.951 0.748 0.00 0.00 -0.274 N ATOM 8 C LIG 1 -5.729 -2.947 1.209 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -6.368 -1.591 1.390 0.00 0.00 +0.101 C ATOM 10 C LIG 1 -6.021 -0.665 0.246 0.00 0.00 +0.046 C ATOM 11 O LIG 1 -6.337 -3.964 1.546 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -3.692 -4.215 0.737 0.00 0.00 +0.138 C ATOM 13 C LIG 1 -4.532 -0.613 0.066 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -3.922 0.557 -0.405 0.00 0.00 +0.016 A BRANCH 3 21 ATOM 15 C LIG 1 0.255 4.703 0.084 0.00 0.00 +0.065 C ATOM 16 C LIG 1 -0.607 3.852 -0.799 0.00 0.00 +0.039 A ATOM 17 N LIG 1 -0.795 4.267 -2.074 0.00 0.00 -0.257 NA ATOM 18 C LIG 1 -1.564 3.486 -2.869 0.00 0.00 +0.150 A ATOM 19 C LIG 1 -2.151 2.305 -2.452 0.00 0.00 +0.149 A ATOM 20 F LIG 1 -2.895 1.593 -3.312 0.00 0.00 -0.203 F ATOM 21 C LIG 1 -1.955 1.873 -1.141 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -1.171 2.678 -0.301 0.00 0.00 +0.034 A ENDBRANCH 3 21 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 C LIG 1 0.567 -1.524 -1.018 0.00 0.00 +0.044 A ATOM 24 C LIG 1 1.915 -1.317 -0.759 0.00 0.00 +0.071 A ATOM 25 C LIG 1 2.596 -0.143 -0.212 0.00 0.00 +0.256 C ATOM 26 N LIG 1 3.931 -0.435 -0.182 0.00 0.00 -0.222 N ATOM 27 C LIG 1 4.170 -1.717 -0.596 0.00 0.00 +0.255 C ATOM 28 O LIG 1 5.227 -2.317 -0.648 0.00 0.00 -0.270 OA ATOM 29 O LIG 1 2.019 0.870 0.141 0.00 0.00 -0.269 OA ATOM 30 C LIG 1 2.882 -2.279 -0.996 0.00 0.00 +0.051 A ATOM 31 C LIG 1 2.571 -3.515 -1.520 0.00 0.00 +0.014 A ATOM 32 C LIG 1 1.229 -3.756 -1.816 0.00 0.00 +0.003 A ATOM 33 C LIG 1 0.243 -2.772 -1.571 0.00 0.00 +0.024 A BRANCH 26 34 ATOM 34 C LIG 1 4.958 0.405 0.416 0.00 0.00 +0.171 C ATOM 35 C LIG 1 4.830 0.350 1.942 0.00 0.00 +0.240 C ATOM 36 O LIG 1 4.261 -0.554 2.550 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 5.452 1.369 2.628 0.00 0.00 -0.255 N ATOM 38 H LIG 1 5.371 1.334 3.636 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 5.977 2.529 2.113 0.00 0.00 +0.219 C ATOM 40 O LIG 1 6.387 3.420 2.851 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 6.071 2.618 0.607 0.00 0.00 +0.098 C ATOM 42 C LIG 1 4.937 1.855 -0.061 0.00 0.00 +0.041 C ENDBRANCH 26 34 ENDBRANCH 1 23 TORSDOF 4