REMARK Name = BDB035757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.956 -1.030 -1.108 0.00 0.00 -0.002 A ATOM 2 C LIG 1 -2.664 -0.598 -0.725 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -1.499 -0.959 -1.429 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.645 -1.800 -2.534 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.903 -2.267 -2.921 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -4.043 -1.894 -2.212 0.00 0.00 +0.007 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.227 -0.474 -1.017 0.00 0.00 -0.263 N ATOM 8 C LIG 1 1.009 -0.777 -1.597 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.307 -1.505 -2.526 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.026 -0.023 -0.855 0.00 0.00 +0.044 A ATOM 11 C LIG 1 1.394 0.705 0.144 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.139 1.498 0.992 0.00 0.00 +0.047 A ATOM 13 C LIG 1 3.526 1.553 0.819 0.00 0.00 +0.025 A ATOM 14 C LIG 1 4.166 0.815 -0.206 0.00 0.00 -0.031 A ATOM 15 CL LIG 1 1.392 2.405 2.244 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 3.397 0.007 -1.055 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -0.073 0.457 0.096 0.00 0.00 +0.151 C BRANCH 14 18 ATOM 18 C LIG 1 5.669 0.878 -0.358 0.00 0.00 +0.117 C BRANCH 18 19 ATOM 19 N LIG 1 6.317 0.122 0.714 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 5.888 -0.804 0.754 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.782 0.095 0.571 0.00 0.00 +0.017 C ATOM 22 C LIG 1 8.322 -0.973 1.571 0.00 0.00 +0.022 C ATOM 23 C LIG 1 9.203 -1.508 0.423 0.00 0.00 +0.004 C ATOM 24 C LIG 1 8.192 -0.888 -0.563 0.00 0.00 +0.022 C ATOM 25 C LIG 1 8.460 1.450 0.653 0.00 0.00 +0.027 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 -5.207 -0.665 -0.268 0.00 0.00 +0.176 C BRANCH 26 29 ATOM 27 C LIG 1 -8.162 -1.029 0.808 0.00 0.00 +0.151 C ATOM 28 N LIG 1 -7.773 -0.753 -0.549 0.00 0.00 -0.318 N ATOM 29 C LIG 1 -6.505 -0.593 -1.065 0.00 0.00 +0.174 A ATOM 30 N LIG 1 -6.631 -0.299 -2.351 0.00 0.00 -0.131 NA ATOM 31 N LIG 1 -7.963 -0.312 -2.680 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -8.635 -0.581 -1.589 0.00 0.00 +0.224 A ENDBRANCH 26 29 BRANCH 26 33 ATOM 33 C LIG 1 -5.034 0.637 0.541 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -4.837 0.628 1.935 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -4.655 1.819 2.642 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.664 3.039 1.971 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.853 3.072 0.592 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.034 1.883 -0.118 0.00 0.00 +0.007 A ENDBRANCH 26 33 BRANCH 26 39 ATOM 39 O LIG 1 -5.381 -1.767 0.648 0.00 0.00 -0.372 OA ATOM 40 H LIG 1 -4.904 -2.524 0.267 0.00 0.00 +0.212 HD ENDBRANCH 26 39 ENDBRANCH 1 26 TORSDOF 8