REMARK Name = BDB042179 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.826 0.835 2.179 0.00 0.00 +0.120 C ENDROOT BRANCH 1 7 ATOM 2 N LIG 1 4.471 -0.176 -0.314 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.023 1.090 -0.248 0.00 0.00 +0.248 C ATOM 4 O LIG 1 6.095 1.468 -0.676 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.076 1.930 0.493 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.022 1.124 0.928 0.00 0.00 -0.014 A ATOM 7 C LIG 1 1.977 1.669 1.666 0.00 0.00 -0.028 A ATOM 8 C LIG 1 2.040 3.050 1.944 0.00 0.00 +0.005 A ATOM 9 C LIG 1 3.112 3.846 1.499 0.00 0.00 +0.001 A ATOM 10 C LIG 1 4.152 3.283 0.763 0.00 0.00 +0.013 A ATOM 11 C LIG 1 3.259 -0.282 0.486 0.00 0.00 +0.145 C BRANCH 2 18 ATOM 12 O LIG 1 9.143 -1.252 -1.985 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 7.955 -1.254 -1.671 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.564 -1.705 -0.438 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.316 -1.956 0.188 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.301 -1.755 0.093 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.129 -2.062 1.274 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.141 -1.368 -0.823 0.00 0.00 +0.163 C ATOM 19 C LIG 1 5.515 -1.337 -2.303 0.00 0.00 +0.041 C ATOM 20 C LIG 1 6.881 -0.746 -2.599 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 7 BRANCH 1 21 ATOM 21 N LIG 1 -0.483 1.314 1.717 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -0.712 1.096 0.276 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -1.542 -0.165 -0.058 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -2.874 -0.241 0.594 0.00 0.00 -0.288 NA ATOM 25 C LIG 1 -2.912 0.658 1.776 0.00 0.00 +0.101 C ATOM 26 C LIG 1 -1.562 0.703 2.522 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -3.983 0.083 -0.362 0.00 0.00 +0.136 C BRANCH 27 28 ATOM 28 C LIG 1 -5.367 0.222 0.303 0.00 0.00 +0.063 A ATOM 29 N LIG 1 -5.973 1.439 0.220 0.00 0.00 -0.258 NA ATOM 30 C LIG 1 -7.185 1.574 0.802 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -7.834 0.556 1.478 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -7.205 -0.679 1.566 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -5.957 -0.852 0.974 0.00 0.00 +0.025 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -4.076 -0.898 -1.543 0.00 0.00 -0.024 A ATOM 35 C LIG 1 -4.506 -0.429 -2.796 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.620 -1.298 -3.883 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.314 -2.648 -3.732 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.898 -3.133 -2.494 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.784 -2.267 -1.406 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6