REMARK Name = BDB010091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.163 -1.088 -0.390 0.00 0.00 +0.148 A ATOM 2 N LIG 1 -0.910 -0.701 -0.839 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.030 -1.735 -0.595 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.831 -2.721 -0.037 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.395 -3.933 0.331 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 0.910 -4.100 0.093 0.00 0.00 +0.242 A ATOM 7 N LIG 1 1.767 -3.192 -0.425 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.333 -1.969 -0.776 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -2.120 -2.306 0.110 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -4.047 0.039 -1.599 0.00 0.00 +0.131 A ATOM 11 C LIG 1 -3.360 -0.247 -0.414 0.00 0.00 +0.059 A ATOM 12 C LIG 1 -3.844 0.281 0.791 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -4.976 1.107 0.814 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -5.457 1.696 2.107 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -5.618 1.420 -0.391 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -5.157 0.888 -1.595 0.00 0.00 +0.046 A BRANCH 10 18 ATOM 17 C LIG 1 -4.309 -1.659 -3.116 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -3.606 -0.454 -2.802 0.00 0.00 -0.494 OA ENDBRANCH 10 18 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C LIG 1 1.517 -5.433 0.450 0.00 0.00 +0.375 C ATOM 20 O LIG 1 2.692 -5.753 0.347 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 0.619 -6.328 0.928 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 1.154 -7.126 1.108 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 2.211 -1.022 -1.284 0.00 0.00 -0.324 N ATOM 24 H LIG 1 1.973 -0.090 -0.978 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 3.667 -1.211 -1.250 0.00 0.00 +0.072 C ATOM 26 C LIG 1 4.154 -2.456 -1.988 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 4.173 -1.133 0.166 0.00 0.00 +0.015 C ATOM 28 C LIG 1 4.406 0.191 0.894 0.00 0.00 -0.030 C ATOM 29 C LIG 1 4.041 0.231 2.358 0.00 0.00 +0.011 C ATOM 30 C LIG 1 4.252 1.515 0.193 0.00 0.00 +0.011 C ATOM 31 C LIG 1 5.577 -0.672 0.471 0.00 0.00 +0.012 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 32 ATOM 32 C LIG 1 -0.613 0.580 -1.463 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.578 1.712 -0.461 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -1.348 2.861 -0.692 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -1.339 3.920 0.218 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.554 3.858 1.379 0.00 0.00 +0.055 A ATOM 37 C LIG 1 0.225 2.716 1.606 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.215 1.655 0.696 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -0.556 5.012 2.352 0.00 0.00 +0.417 C ATOM 40 F LIG 1 0.196 4.787 3.466 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.807 5.315 2.799 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.069 6.158 1.798 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10