REMARK Name = BDB027258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.513 -0.780 0.089 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -0.421 0.076 0.690 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -1.687 -0.431 1.042 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.998 -1.771 0.814 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.102 -2.609 0.244 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 0.105 -2.102 -0.102 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.307 -2.370 1.154 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.806 -3.460 0.413 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.036 -4.037 0.722 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.480 -5.069 -0.008 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.796 -3.548 1.774 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.978 -4.103 2.071 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.333 -2.480 2.531 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.097 -1.898 2.224 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 4.253 -0.274 0.230 0.00 0.00 +0.045 C ATOM 16 C LIG 1 2.816 -0.624 0.740 0.00 0.00 +0.128 C ATOM 17 N LIG 1 1.782 -0.303 -0.272 0.00 0.00 -0.327 N ATOM 18 C LIG 1 2.166 -0.521 -1.683 0.00 0.00 +0.105 C ATOM 19 C LIG 1 3.300 -1.530 -1.820 0.00 0.00 +0.021 C ATOM 20 C LIG 1 4.548 -1.158 -1.010 0.00 0.00 +0.026 C BRANCH 15 21 ATOM 21 N LIG 1 4.309 1.150 -0.184 0.00 0.00 -0.323 NA ATOM 22 H LIG 1 4.078 1.769 0.591 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 5.244 1.408 -0.506 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 5.253 -0.562 1.381 0.00 0.00 +0.142 C BRANCH 24 26 ATOM 25 N LIG 1 7.761 -0.160 0.699 0.00 0.00 -0.197 NA ATOM 26 C LIG 1 6.656 -0.342 1.001 0.00 0.00 +0.064 C ENDBRANCH 24 26 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 27 ATOM 27 C LIG 1 -0.130 1.539 0.916 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 N LIG 1 -0.526 2.346 -0.220 0.00 0.00 -0.310 N ATOM 29 C LIG 1 -1.758 2.904 -0.425 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -1.627 3.621 -1.603 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -2.771 4.300 -2.057 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -3.911 4.197 -1.337 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 -3.888 3.468 -0.200 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -0.347 3.510 -2.110 0.00 0.00 -0.231 NA ATOM 35 N LIG 1 -2.857 2.786 0.341 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 0.289 2.747 -1.245 0.00 0.00 +0.202 A BRANCH 31 37 ATOM 37 N LIG 1 -2.793 5.059 -3.220 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -2.048 4.822 -3.866 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -3.728 5.153 -3.594 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 8