REMARK Name = BDB023865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.178 0.310 -1.262 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.814 0.360 -0.940 0.00 0.00 +0.252 C ATOM 3 O LIG 1 1.268 0.225 0.140 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.075 0.608 -2.195 0.00 0.00 +0.051 A ATOM 5 C LIG 1 2.016 0.714 -3.221 0.00 0.00 -0.017 A ATOM 6 C LIG 1 1.630 0.972 -4.527 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.270 1.133 -4.792 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.677 1.029 -3.759 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -0.284 0.753 -2.438 0.00 0.00 +0.015 A ATOM 10 C LIG 1 3.391 0.524 -2.683 0.00 0.00 +0.149 C ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 -1.299 0.641 -1.405 0.00 0.00 +0.098 A ATOM 12 C LIG 1 -1.669 -0.501 -0.653 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -1.138 -1.891 -0.676 0.00 0.00 +0.146 C ATOM 14 N LIG 1 -1.974 -2.772 0.163 0.00 0.00 -0.297 N ATOM 15 C LIG 1 -2.501 -2.190 1.416 0.00 0.00 +0.114 C ATOM 16 C LIG 1 -3.366 -0.934 1.168 0.00 0.00 +0.074 C ATOM 17 C LIG 1 -1.848 -4.135 -0.065 0.00 0.00 +0.213 C ATOM 18 O LIG 1 -1.167 -4.596 -0.982 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -2.601 -5.062 0.853 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -2.677 -0.065 0.184 0.00 0.00 +0.046 A ATOM 21 N LIG 1 -2.877 1.254 -0.099 0.00 0.00 -0.264 N ATOM 22 N LIG 1 -2.082 1.689 -1.100 0.00 0.00 -0.170 NA BRANCH 21 23 ATOM 23 C LIG 1 -3.794 2.209 0.511 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -3.381 2.581 1.942 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -4.591 2.945 2.792 0.00 0.00 +0.162 C ATOM 26 O LIG 1 -5.534 3.665 2.007 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -6.160 2.870 1.000 0.00 0.00 +0.162 C ATOM 28 C LIG 1 -5.257 1.775 0.438 0.00 0.00 +0.055 C ENDBRANCH 21 23 ENDBRANCH 9 11 BRANCH 1 32 ATOM 29 C LIG 1 6.441 -0.357 1.402 0.00 0.00 +0.120 A ATOM 30 C LIG 1 6.663 -0.166 0.042 0.00 0.00 +0.047 A ATOM 31 C LIG 1 5.583 0.054 -0.827 0.00 0.00 +0.027 A ATOM 32 C LIG 1 4.258 0.087 -0.362 0.00 0.00 +0.037 A ATOM 33 C LIG 1 4.055 -0.106 1.008 0.00 0.00 +0.027 A ATOM 34 C LIG 1 5.133 -0.325 1.877 0.00 0.00 +0.047 A BRANCH 29 36 ATOM 35 C LIG 1 8.747 -0.623 1.913 0.00 0.00 +0.277 C ATOM 36 O LIG 1 7.396 -0.579 2.354 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 1 32 TORSDOF 4