REMARK Name = BDB055614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.259 0.131 0.189 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.049 -1.215 0.081 0.00 0.00 -0.286 N ATOM 3 C LIG 1 1.345 -1.668 0.652 0.00 0.00 +0.176 C ATOM 4 C LIG 1 1.386 -3.196 0.917 0.00 0.00 +0.116 C ATOM 5 N LIG 1 0.217 -3.655 1.689 0.00 0.00 -0.296 NA ATOM 6 C LIG 1 -1.065 -3.157 1.129 0.00 0.00 +0.074 C ATOM 7 C LIG 1 -1.939 -4.391 0.927 0.00 0.00 +0.022 C ATOM 8 C LIG 1 -1.344 -5.397 1.894 0.00 0.00 +0.017 C ATOM 9 C LIG 1 0.143 -5.117 1.776 0.00 0.00 +0.085 C ATOM 10 C LIG 1 -0.926 -2.293 -0.143 0.00 0.00 +0.127 C ATOM 11 O LIG 1 0.515 0.919 0.753 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.477 -1.301 -0.330 0.00 0.00 +0.235 C ATOM 13 N LIG 1 2.972 -0.024 -0.170 0.00 0.00 -0.307 N ATOM 14 H LIG 1 2.423 0.612 0.410 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 2.857 -2.050 -1.230 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C LIG 1 3.988 0.527 -1.056 0.00 0.00 +0.110 C ATOM 17 C LIG 1 4.101 2.032 -0.934 0.00 0.00 +0.014 A ATOM 18 C LIG 1 5.359 2.649 -0.886 0.00 0.00 +0.125 A ATOM 19 C LIG 1 5.469 4.037 -0.756 0.00 0.00 +0.046 A ATOM 20 C LIG 1 4.323 4.833 -0.719 0.00 0.00 +0.004 A ATOM 21 C LIG 1 3.066 4.240 -0.808 0.00 0.00 +0.001 A ATOM 22 O LIG 1 6.547 1.962 -0.944 0.00 0.00 -0.492 OA ATOM 23 C LIG 1 6.430 0.645 -1.484 0.00 0.00 +0.231 C ATOM 24 C LIG 1 2.956 2.851 -0.922 0.00 0.00 +0.009 A ATOM 25 C LIG 1 5.342 -0.137 -0.780 0.00 0.00 +0.068 C ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 26 ATOM 26 C LIG 1 -1.571 0.679 -0.422 0.00 0.00 +0.162 C BRANCH 26 27 ATOM 27 C LIG 1 -1.255 1.752 -1.497 0.00 0.00 +0.023 C ATOM 28 C LIG 1 -0.411 1.192 -2.658 0.00 0.00 +0.034 C ATOM 29 C LIG 1 -1.228 0.287 -3.574 0.00 0.00 +0.160 C ATOM 30 O LIG 1 -2.375 0.978 -4.068 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 -3.253 1.410 -3.030 0.00 0.00 +0.160 C ATOM 32 C LIG 1 -2.540 2.372 -2.087 0.00 0.00 +0.034 C ENDBRANCH 26 27 BRANCH 26 34 ATOM 33 C LIG 1 -3.191 0.542 1.441 0.00 0.00 +0.230 C ATOM 34 N LIG 1 -2.286 1.280 0.705 0.00 0.00 -0.302 N ATOM 35 H LIG 1 -1.792 2.020 1.197 0.00 0.00 +0.150 HD ATOM 36 O LIG 1 -3.553 -0.586 1.110 0.00 0.00 -0.274 OA BRANCH 33 37 ATOM 37 C LIG 1 -3.701 1.256 2.711 0.00 0.00 +0.137 C ATOM 38 C LIG 1 -2.708 1.015 3.843 0.00 0.00 +0.034 C BRANCH 37 40 ATOM 39 C LIG 1 -6.080 1.212 2.215 0.00 0.00 +0.101 C ATOM 40 N LIG 1 -5.028 0.747 3.112 0.00 0.00 -0.309 NA ATOM 41 H LIG 1 -4.994 -0.278 3.069 0.00 0.00 +0.122 HD ENDBRANCH 37 40 ENDBRANCH 33 37 ENDBRANCH 26 34 ENDBRANCH 1 26 TORSDOF 7