REMARK Name = BDB058517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.126 -0.214 0.267 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.305 -1.532 0.325 0.00 0.00 +0.027 A ATOM 3 S LIG 1 1.021 -2.626 0.326 0.00 0.00 -0.091 S ATOM 4 C LIG 1 2.174 -1.366 0.245 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.556 -0.131 0.234 0.00 0.00 +0.021 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -2.504 3.152 0.158 0.00 0.00 -0.047 A ATOM 7 C LIG 1 -2.556 2.251 1.229 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -1.701 1.146 1.268 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.782 0.928 0.236 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -0.718 1.835 -0.828 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -1.573 2.939 -0.867 0.00 0.00 +0.004 A BRANCH 6 12 ATOM 12 C LIG 1 -3.417 4.354 0.121 0.00 0.00 +0.035 C BRANCH 12 13 ATOM 13 C LIG 1 -2.739 5.594 0.713 0.00 0.00 +0.004 C BRANCH 13 15 ATOM 14 C LIG 1 -4.853 6.819 1.446 0.00 0.00 +0.004 C ATOM 15 C LIG 1 -3.592 6.858 0.595 0.00 0.00 -0.003 C ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -1.664 -2.088 0.354 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -2.118 -2.812 1.464 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.420 -3.319 1.498 0.00 0.00 +0.004 A ATOM 19 C LIG 1 -4.292 -3.115 0.421 0.00 0.00 -0.047 A ATOM 20 C LIG 1 -3.840 -2.388 -0.688 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -2.538 -1.879 -0.721 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -5.698 -3.661 0.460 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 -5.775 -5.189 0.355 0.00 0.00 +0.004 C BRANCH 23 24 ATOM 24 C LIG 1 -5.353 -5.717 -1.019 0.00 0.00 -0.003 C ATOM 25 C LIG 1 -5.511 -7.227 -1.102 0.00 0.00 +0.004 C ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 3.641 -1.696 0.222 0.00 0.00 +0.123 C BRANCH 26 27 ATOM 27 N LIG 1 4.399 -0.652 -0.472 0.00 0.00 -0.311 NA ATOM 28 H LIG 1 4.029 -0.561 -1.419 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 5.823 -0.979 -0.538 0.00 0.00 +0.084 C BRANCH 29 30 ATOM 30 C LIG 1 6.611 0.171 -1.196 0.00 0.00 +0.005 C ATOM 31 C LIG 1 6.478 1.477 -0.386 0.00 0.00 +0.020 C ATOM 32 C LIG 1 7.680 2.386 -0.598 0.00 0.00 +0.081 C ATOM 33 N LIG 1 8.942 1.783 -0.170 0.00 0.00 -0.316 NA ATOM 34 H LIG 1 9.146 2.051 0.793 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 8.967 0.321 -0.265 0.00 0.00 +0.081 C ATOM 36 C LIG 1 8.090 -0.211 -1.394 0.00 0.00 +0.020 C ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 12