REMARK Name = BDB057940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.139 -0.536 -0.017 0.00 0.00 +0.208 A ATOM 2 N LIG 1 -0.721 0.795 0.083 0.00 0.00 -0.280 N ATOM 3 C LIG 1 0.557 0.753 0.645 0.00 0.00 +0.075 A ATOM 4 C LIG 1 0.862 -0.605 0.713 0.00 0.00 +0.092 A ATOM 5 C LIG 1 2.112 -1.022 1.199 0.00 0.00 +0.034 A ATOM 6 C LIG 1 3.062 -0.066 1.595 0.00 0.00 -0.031 A ATOM 7 C LIG 1 2.743 1.294 1.492 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.503 1.728 1.004 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.165 -1.377 0.248 0.00 0.00 -0.214 NA ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -1.358 1.953 -0.451 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -2.025 1.876 -1.683 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -2.631 3.013 -2.222 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.579 4.225 -1.536 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -1.925 4.303 -0.307 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -1.314 3.171 0.237 0.00 0.00 +0.026 A ENDBRANCH 2 10 BRANCH 1 18 ATOM 16 O LIG 1 -3.601 0.585 0.840 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -3.546 -0.407 0.122 0.00 0.00 +0.250 C ATOM 18 N LIG 1 -2.394 -1.013 -0.338 0.00 0.00 -0.252 N ATOM 19 H LIG 1 -2.413 -2.017 -0.460 0.00 0.00 +0.158 HD BRANCH 17 20 ATOM 20 C LIG 1 -4.816 -1.100 -0.246 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -5.945 -0.901 0.561 0.00 0.00 +0.025 A ATOM 22 C LIG 1 -7.165 -1.527 0.258 0.00 0.00 +0.056 A ATOM 23 C LIG 1 -7.244 -2.340 -0.883 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -6.126 -2.530 -1.698 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -4.915 -1.911 -1.385 0.00 0.00 +0.013 A BRANCH 22 26 ATOM 26 C LIG 1 -8.380 -1.292 1.123 0.00 0.00 +0.417 C ATOM 27 F LIG 1 -9.285 -2.309 1.058 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -9.058 -0.167 0.769 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -8.075 -1.151 2.442 0.00 0.00 -0.166 F ENDBRANCH 22 26 ENDBRANCH 17 20 ENDBRANCH 1 18 BRANCH 6 30 ATOM 30 C LIG 1 4.414 -0.505 2.121 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.489 -0.682 1.134 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 5.236 -1.766 0.182 0.00 0.00 +0.085 C ATOM 33 C LIG 1 6.481 -2.048 -0.661 0.00 0.00 +0.015 C ATOM 34 C LIG 1 6.968 -0.789 -1.372 0.00 0.00 +0.002 C ATOM 35 C LIG 1 7.139 0.353 -0.376 0.00 0.00 +0.015 C ATOM 36 C LIG 1 5.873 0.560 0.458 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 6 30 TORSDOF 6