REMARK Name = BDB030776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.573 -0.689 0.847 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -1.925 -0.609 0.484 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -2.626 0.616 0.467 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -4.065 0.722 0.092 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -4.774 -0.475 -0.018 0.00 0.00 -0.337 N ATOM 6 H LIG 1 -4.352 -1.257 0.464 0.00 0.00 +0.146 HD ATOM 7 C LIG 1 -5.604 -0.880 -1.146 0.00 0.00 +0.077 C ATOM 8 C LIG 1 -6.473 0.268 -1.667 0.00 0.00 +0.063 C ATOM 9 C LIG 1 -6.874 1.215 -0.549 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -5.915 2.252 -0.383 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -4.602 1.959 -0.055 0.00 0.00 +0.207 A ATOM 12 C LIG 1 -3.764 3.193 0.181 0.00 0.00 +0.296 A ATOM 13 N LIG 1 -2.486 3.025 0.666 0.00 0.00 -0.293 N ATOM 14 C LIG 1 -1.666 4.186 0.966 0.00 0.00 +0.154 C ATOM 15 O LIG 1 -4.248 4.305 -0.040 0.00 0.00 -0.264 OA ATOM 16 C LIG 1 -1.891 1.756 0.791 0.00 0.00 +0.145 A ATOM 17 N LIG 1 -0.596 1.711 1.189 0.00 0.00 -0.235 NA ATOM 18 C LIG 1 0.018 0.505 1.229 0.00 0.00 +0.136 A ENDROOT BRANCH 7 19 ATOM 19 C LIG 1 -6.468 -2.077 -0.790 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -6.973 -2.340 0.610 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -5.959 -3.266 -0.006 0.00 0.00 +0.005 C ENDBRANCH 7 19 BRANCH 1 22 ATOM 22 N LIG 1 0.057 -1.946 0.895 0.00 0.00 -0.297 N ATOM 23 H LIG 1 -0.476 -2.684 0.446 0.00 0.00 +0.154 HD BRANCH 22 26 ATOM 24 C LIG 1 3.663 -1.570 0.696 0.00 0.00 +0.220 A ATOM 25 N LIG 1 2.351 -1.273 0.704 0.00 0.00 -0.198 NA ATOM 26 C LIG 1 1.442 -2.258 0.863 0.00 0.00 +0.147 A ATOM 27 C LIG 1 1.842 -3.575 1.034 0.00 0.00 +0.099 A ATOM 28 CL LIG 1 0.739 -4.878 1.232 0.00 0.00 -0.078 Cl ATOM 29 C LIG 1 3.195 -3.800 1.014 0.00 0.00 +0.137 A ATOM 30 N LIG 1 4.110 -2.826 0.843 0.00 0.00 -0.221 NA BRANCH 24 39 ATOM 31 C LIG 1 8.211 0.103 -0.175 0.00 0.00 +0.015 C ATOM 32 C LIG 1 6.932 0.218 0.657 0.00 0.00 +0.073 C ATOM 33 C LIG 1 6.275 1.592 0.563 0.00 0.00 +0.257 C ATOM 34 F LIG 1 5.807 1.926 1.805 0.00 0.00 -0.205 F ATOM 35 F LIG 1 7.208 2.541 0.280 0.00 0.00 -0.205 F ATOM 36 C LIG 1 5.114 1.711 -0.406 0.00 0.00 +0.073 C ATOM 37 C LIG 1 5.524 1.586 -1.875 0.00 0.00 +0.015 C ATOM 38 C LIG 1 4.034 0.700 -0.019 0.00 0.00 +0.117 C ATOM 39 N LIG 1 4.580 -0.533 0.549 0.00 0.00 -0.299 N ATOM 40 C LIG 1 5.959 -0.908 0.284 0.00 0.00 +0.117 C ENDBRANCH 24 39 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 4