REMARK Name = BDB053825 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.288 -0.606 -1.653 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -0.421 -0.240 -0.501 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -1.827 -0.215 -0.484 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -2.551 -0.549 -1.651 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.842 -0.917 -2.796 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -0.442 -0.943 -2.798 0.00 0.00 +0.006 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.291 0.368 0.732 0.00 0.00 +0.230 C ATOM 8 N LIG 1 4.145 0.129 -0.035 0.00 0.00 -0.300 N ATOM 9 C LIG 1 3.866 0.783 -1.314 0.00 0.00 +0.108 C ATOM 10 C LIG 1 2.379 0.796 -1.643 0.00 0.00 +0.027 C ATOM 11 C LIG 1 1.807 -0.631 -1.688 0.00 0.00 +0.022 C ATOM 12 C LIG 1 2.419 -1.548 -0.610 0.00 0.00 +0.027 C ATOM 13 C LIG 1 3.124 -0.772 0.498 0.00 0.00 +0.108 C ATOM 14 O LIG 1 5.404 -0.109 1.863 0.00 0.00 -0.274 OA BRANCH 7 15 ATOM 15 C LIG 1 6.372 1.261 0.082 0.00 0.00 +0.180 C BRANCH 15 17 ATOM 16 C LIG 1 7.774 1.773 2.025 0.00 0.00 +0.105 C ATOM 17 N LIG 1 7.722 1.203 0.682 0.00 0.00 -0.300 NA ATOM 18 C LIG 1 8.295 -0.140 0.650 0.00 0.00 +0.105 C ENDBRANCH 15 17 ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 3 19 ATOM 19 C LIG 1 -2.484 0.179 0.780 0.00 0.00 -0.042 C ATOM 20 C LIG 1 -2.518 -0.849 1.883 0.00 0.00 +0.035 C ATOM 21 C LIG 1 -2.864 -0.243 3.248 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.011 0.757 3.135 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -3.662 1.895 2.173 0.00 0.00 +0.027 C ATOM 24 C LIG 1 -2.983 1.420 0.920 0.00 0.00 -0.023 C ENDBRANCH 3 19 BRANCH 4 25 ATOM 25 N LIG 1 -3.968 -0.519 -1.599 0.00 0.00 -0.278 N ATOM 26 H LIG 1 -4.345 -0.200 -0.718 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 -4.871 -0.696 -2.638 0.00 0.00 +0.284 C ATOM 28 O LIG 1 -4.560 -0.838 -3.816 0.00 0.00 -0.267 OA BRANCH 27 29 ATOM 29 C LIG 1 -6.263 -0.687 -2.190 0.00 0.00 +0.195 A ATOM 30 N LIG 1 -6.725 -1.161 -0.981 0.00 0.00 -0.326 N ATOM 31 H LIG 1 -6.160 -1.602 -0.269 0.00 0.00 +0.168 HD ATOM 32 C LIG 1 -8.082 -0.988 -0.945 0.00 0.00 +0.137 A ATOM 33 C LIG 1 -8.404 -0.424 -2.153 0.00 0.00 +0.150 A ATOM 34 N LIG 1 -7.278 -0.249 -2.917 0.00 0.00 -0.231 NA BRANCH 32 35 ATOM 35 C LIG 1 -8.924 -1.346 0.135 0.00 0.00 +0.119 C ATOM 36 N LIG 1 -9.576 -1.648 1.044 0.00 0.00 -0.189 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 4 25 TORSDOF 7