REMARK Name = BDB053943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.857 -0.070 -0.339 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.346 0.661 -0.363 0.00 0.00 +0.022 A ATOM 3 C LIG 1 -1.581 0.004 -0.161 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -1.557 -1.372 0.071 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -2.855 -1.784 0.250 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -3.132 -2.736 0.442 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -3.724 -0.728 0.143 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -5.122 -0.684 0.259 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -6.113 -1.789 0.506 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -7.351 -0.989 0.935 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.268 0.370 0.223 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -5.789 0.538 0.096 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -5.061 1.663 -0.185 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -5.479 3.041 -0.428 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -6.623 3.449 -0.432 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -4.341 3.748 -0.653 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -4.324 4.731 -0.872 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -3.225 2.967 -0.612 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -2.087 3.333 -0.818 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -3.674 1.614 -0.294 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -0.375 -2.120 0.106 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -2.954 0.418 -0.129 0.00 0.00 +0.021 A ATOM 23 C LIG 1 0.832 -1.446 -0.104 0.00 0.00 +0.013 A ENDROOT BRANCH 1 24 ATOM 24 C LIG 1 2.136 0.672 -0.562 0.00 0.00 +0.177 C ATOM 25 O LIG 1 2.162 1.896 -0.421 0.00 0.00 -0.291 OA BRANCH 24 26 ATOM 26 C LIG 1 3.388 -0.095 -0.982 0.00 0.00 +0.164 C BRANCH 26 31 ATOM 27 C LIG 1 7.675 -0.413 1.264 0.00 0.00 +0.105 C ATOM 28 N LIG 1 6.957 0.192 0.143 0.00 0.00 -0.303 NA ATOM 29 C LIG 1 5.854 1.056 0.615 0.00 0.00 +0.099 C ATOM 30 C LIG 1 4.603 0.294 1.118 0.00 0.00 +0.100 C ATOM 31 N LIG 1 4.063 -0.717 0.178 0.00 0.00 -0.293 NA ATOM 32 C LIG 1 5.174 -1.583 -0.274 0.00 0.00 +0.100 C ATOM 33 C LIG 1 6.431 -0.831 -0.779 0.00 0.00 +0.099 C ENDBRANCH 26 31 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 3