REMARK Name = BDB065026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.859 0.941 1.149 0.00 0.00 -0.180 N ATOM 2 C LIG 1 0.223 0.777 -0.105 0.00 0.00 +0.356 A ATOM 3 O LIG 1 0.693 0.458 -1.187 0.00 0.00 -0.244 OA ATOM 4 N LIG 1 -1.104 1.071 0.148 0.00 0.00 -0.250 N ATOM 5 C LIG 1 -1.189 1.387 1.466 0.00 0.00 +0.174 A ATOM 6 C LIG 1 -2.520 1.755 1.984 0.00 0.00 +0.100 A ATOM 7 C LIG 1 -3.553 1.737 1.116 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -3.392 1.354 -0.285 0.00 0.00 -0.016 A ATOM 9 C LIG 1 -2.155 1.058 -0.726 0.00 0.00 +0.102 A ATOM 10 N LIG 1 -0.066 1.329 2.108 0.00 0.00 -0.143 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.543 0.178 0.896 0.00 0.00 -0.018 A ATOM 12 C LIG 1 3.175 0.348 0.569 0.00 0.00 +0.034 A ATOM 13 C LIG 1 2.215 0.773 1.500 0.00 0.00 +0.071 A ATOM 14 C LIG 1 2.635 1.030 2.810 0.00 0.00 +0.028 A ATOM 15 C LIG 1 3.970 0.873 3.174 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.906 0.454 2.228 0.00 0.00 +0.006 A BRANCH 11 20 ATOM 17 C LIG 1 7.896 1.467 -2.202 0.00 0.00 +0.007 C ATOM 18 C LIG 1 7.132 0.291 -1.627 0.00 0.00 -0.009 C ATOM 19 C LIG 1 7.091 0.181 -0.085 0.00 0.00 +0.038 C ATOM 20 C LIG 1 5.604 -0.312 -0.197 0.00 0.00 +0.089 C ATOM 21 C LIG 1 5.592 0.421 -1.587 0.00 0.00 +0.038 C BRANCH 20 22 ATOM 22 N LIG 1 5.537 -1.811 -0.330 0.00 0.00 -0.261 N ATOM 23 N LIG 1 4.983 -2.438 -1.389 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 5.099 -3.734 -1.091 0.00 0.00 +0.134 A ATOM 25 C LIG 1 5.718 -3.947 0.153 0.00 0.00 +0.041 A ATOM 26 C LIG 1 5.985 -2.686 0.628 0.00 0.00 +0.109 A ENDBRANCH 20 22 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 C LIG 1 -2.583 2.123 3.418 0.00 0.00 +0.421 C ATOM 28 F LIG 1 -1.812 3.198 3.714 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -3.850 2.452 3.795 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.201 1.108 4.233 0.00 0.00 -0.166 F ENDBRANCH 6 27 BRANCH 8 31 ATOM 31 C LIG 1 -4.595 1.383 -1.206 0.00 0.00 +0.121 C BRANCH 31 32 ATOM 32 N LIG 1 -5.515 0.248 -1.144 0.00 0.00 -0.298 NA ATOM 33 C LIG 1 -6.268 0.102 0.094 0.00 0.00 +0.088 C ATOM 34 C LIG 1 -7.512 -0.784 -0.135 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -8.704 0.034 -0.638 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -7.230 -1.951 -1.103 0.00 0.00 +0.006 C ATOM 37 C LIG 1 -5.740 -2.252 -1.182 0.00 0.00 +0.016 C ATOM 38 C LIG 1 -4.946 -1.015 -1.627 0.00 0.00 +0.085 C ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 6