REMARK Name = BDB064575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.555 -1.067 1.159 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.483 -0.992 2.058 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.307 -1.125 3.052 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.431 -0.728 -0.017 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.668 -0.205 1.042 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -2.992 -1.392 0.890 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.838 -1.706 1.728 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -1.734 -3.227 1.680 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -2.267 -3.564 0.289 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.393 -2.546 0.101 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -3.327 0.615 1.902 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 -2.719 -4.907 0.254 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -3.090 -5.073 -0.630 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.876 0.084 0.115 0.00 0.00 +0.164 C BRANCH 14 17 ATOM 15 C LIG 1 -7.683 0.325 2.651 0.00 0.00 +0.109 C ATOM 16 C LIG 1 -6.818 -0.293 1.586 0.00 0.00 +0.211 C ATOM 17 N LIG 1 -5.928 0.584 1.007 0.00 0.00 -0.304 N ATOM 18 H LIG 1 -5.659 1.380 1.575 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -6.905 -1.478 1.278 0.00 0.00 -0.276 OA ENDBRANCH 14 17 BRANCH 14 20 ATOM 20 C LIG 1 -4.553 1.094 -1.032 0.00 0.00 -0.011 C ATOM 21 C LIG 1 -5.830 1.336 -1.869 0.00 0.00 +0.013 C ATOM 22 C LIG 1 -3.482 0.513 -1.975 0.00 0.00 +0.013 C ATOM 23 C LIG 1 -4.053 2.456 -0.514 0.00 0.00 +0.013 C ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.751 -0.349 1.709 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 2.410 0.074 3.035 0.00 0.00 +0.231 C ATOM 26 O LIG 1 2.033 -0.345 4.129 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 3.447 0.953 2.953 0.00 0.00 -0.328 N ATOM 28 H LIG 1 3.818 1.294 2.074 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 3.901 1.238 3.811 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 2.654 -1.306 0.913 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.768 -0.611 0.166 0.00 0.00 -0.045 A ATOM 32 C LIG 1 3.478 0.227 -0.917 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.506 0.887 -1.597 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.848 0.725 -1.220 0.00 0.00 -0.018 A ATOM 35 C LIG 1 6.128 -0.126 -0.139 0.00 0.00 +0.009 A ATOM 36 C LIG 1 5.103 -0.789 0.544 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 6.929 1.420 -1.939 0.00 0.00 -0.018 A ATOM 38 C LIG 1 7.048 1.325 -3.336 0.00 0.00 +0.008 A ATOM 39 C LIG 1 8.073 1.985 -4.019 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.998 2.752 -3.317 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.899 2.860 -1.932 0.00 0.00 +0.001 A ATOM 42 C LIG 1 7.874 2.199 -1.250 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10