REMARK Name = BDB033057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.386 -1.250 -1.877 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.350 -0.171 -1.385 0.00 0.00 +0.130 C ATOM 3 N LIG 1 -2.643 -0.661 -1.800 0.00 0.00 -0.295 N ATOM 4 C LIG 1 -2.628 -2.026 -2.031 0.00 0.00 +0.218 C ATOM 5 O LIG 1 -3.591 -2.731 -2.292 0.00 0.00 -0.276 OA ATOM 6 C LIG 1 -1.220 -2.528 -1.837 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.806 -0.376 -1.159 0.00 0.00 +0.248 C ATOM 8 N LIG 1 0.833 -1.348 -1.101 0.00 0.00 -0.306 N ATOM 9 H LIG 1 0.909 -2.029 -0.347 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 1.733 0.573 -1.933 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 5.151 0.367 0.451 0.00 0.00 -0.047 A ATOM 12 C LIG 1 4.016 0.412 -0.372 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.969 -0.514 -0.225 0.00 0.00 +0.078 A ATOM 14 C LIG 1 3.073 -1.492 0.777 0.00 0.00 +0.129 A ATOM 15 C LIG 1 4.197 -1.541 1.607 0.00 0.00 +0.046 A ATOM 16 C LIG 1 5.229 -0.615 1.444 0.00 0.00 +0.007 A BRANCH 11 18 ATOM 17 C LIG 1 6.008 2.627 1.122 0.00 0.00 +0.009 C ATOM 18 C LIG 1 6.255 1.381 0.285 0.00 0.00 +0.032 C ENDBRANCH 11 18 BRANCH 14 19 ATOM 19 O LIG 1 2.074 -2.413 0.974 0.00 0.00 -0.506 OA ATOM 20 H LIG 1 2.332 -2.998 1.708 0.00 0.00 +0.292 HD ENDBRANCH 14 19 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -3.854 0.128 -1.687 0.00 0.00 +0.143 C BRANCH 21 22 ATOM 22 C LIG 1 -4.330 0.259 -0.253 0.00 0.00 -0.018 A ATOM 23 C LIG 1 -4.225 1.462 0.485 0.00 0.00 +0.059 A ATOM 24 C LIG 1 -4.680 1.487 1.819 0.00 0.00 +0.013 A ATOM 25 C LIG 1 -5.229 0.352 2.415 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.336 -0.827 1.689 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -4.891 -0.874 0.368 0.00 0.00 +0.006 A BRANCH 23 28 ATOM 28 C LIG 1 -3.653 2.725 -0.117 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -4.362 3.157 -1.196 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -3.623 3.779 0.748 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.371 2.568 -0.545 0.00 0.00 -0.166 F ENDBRANCH 23 28 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7