REMARK Name = BDB035171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.976 0.743 0.381 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -3.850 1.939 -0.210 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 -2.524 2.015 -0.461 0.00 0.00 -0.220 N ATOM 4 C LIG 1 -1.908 0.839 -0.035 0.00 0.00 +0.160 A ATOM 5 C LIG 1 -0.485 0.687 -0.214 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.171 1.724 -0.795 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.495 2.942 -1.229 0.00 0.00 +0.020 A ATOM 8 C LIG 1 -1.819 3.057 -1.053 0.00 0.00 +0.115 A ATOM 9 N LIG 1 -2.805 0.031 0.485 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -6.019 0.829 1.786 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -5.239 0.198 0.830 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -5.734 -1.003 0.326 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.916 -1.512 0.766 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -7.585 -0.812 1.691 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.197 0.345 2.233 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.997 -1.810 -0.730 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -4.925 -1.304 -2.154 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -5.763 -2.503 -1.834 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.452 2.621 3.248 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.541 1.999 2.350 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 0.201 -0.595 0.245 0.00 0.00 +0.074 C BRANCH 21 22 ATOM 22 C LIG 1 1.709 -0.647 0.137 0.00 0.00 -0.040 A ATOM 23 C LIG 1 2.514 -0.185 1.186 0.00 0.00 +0.043 A ATOM 24 C LIG 1 3.904 -0.228 1.079 0.00 0.00 +0.134 A ATOM 25 F LIG 1 4.627 0.201 2.124 0.00 0.00 -0.205 F ATOM 26 C LIG 1 4.532 -0.710 -0.073 0.00 0.00 +0.053 A ATOM 27 C LIG 1 3.721 -1.185 -1.115 0.00 0.00 +0.014 A ATOM 28 C LIG 1 2.326 -1.148 -1.016 0.00 0.00 +0.005 A BRANCH 26 29 ATOM 29 C LIG 1 5.989 -0.787 -0.217 0.00 0.00 +0.144 A ATOM 30 N LIG 1 6.907 0.188 0.119 0.00 0.00 -0.333 N ATOM 31 C LIG 1 6.646 1.521 0.607 0.00 0.00 +0.150 C ATOM 32 C LIG 1 8.160 -0.288 -0.163 0.00 0.00 +0.119 A ATOM 33 C LIG 1 7.978 -1.543 -0.712 0.00 0.00 +0.162 A ATOM 34 N LIG 1 6.619 -1.819 -0.756 0.00 0.00 -0.223 NA BRANCH 33 35 ATOM 35 C LIG 1 9.011 -2.508 -1.214 0.00 0.00 +0.436 C ATOM 36 F LIG 1 9.014 -3.675 -0.518 0.00 0.00 -0.164 F ATOM 37 F LIG 1 10.271 -1.998 -1.115 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.830 -2.825 -2.524 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 7