REMARK Name = BDB060926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.347 -0.780 0.677 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -1.376 0.092 0.994 0.00 0.00 +0.126 A ATOM 3 N LIG 1 -2.525 -0.679 0.968 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -2.137 -1.959 0.591 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -3.158 -2.945 0.473 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -4.453 -2.644 0.733 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -4.804 -1.276 1.143 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.846 -0.340 1.250 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.836 -2.041 0.411 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.486 -3.627 0.622 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.808 -4.356 -0.501 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -5.295 -4.422 -1.882 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -6.850 -5.181 -0.209 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.230 -5.005 1.107 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -6.405 -4.075 1.606 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -6.532 -3.660 3.023 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -1.386 1.420 1.336 0.00 0.00 -0.326 N ATOM 18 H LIG 1 -0.638 1.635 2.000 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -1.256 2.388 0.222 0.00 0.00 +0.072 C ATOM 20 C LIG 1 -2.523 2.418 -0.645 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -2.444 3.495 -1.726 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -2.157 4.870 -1.134 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -0.903 4.854 -0.267 0.00 0.00 +0.002 C ATOM 24 C LIG 1 -0.982 3.780 0.815 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 25 ATOM 25 C LIG 1 1.114 -0.514 0.577 0.00 0.00 +0.063 C BRANCH 25 26 ATOM 26 C LIG 1 1.579 -0.446 -0.879 0.00 0.00 +0.041 C BRANCH 26 30 ATOM 27 C LIG 1 5.763 0.624 -1.124 0.00 0.00 +0.121 A ATOM 28 C LIG 1 4.772 1.605 -1.201 0.00 0.00 +0.046 A ATOM 29 C LIG 1 3.420 1.265 -1.130 0.00 0.00 +0.007 A ATOM 30 C LIG 1 3.037 -0.071 -0.981 0.00 0.00 -0.047 A ATOM 31 C LIG 1 4.031 -1.053 -0.894 0.00 0.00 +0.007 A ATOM 32 C LIG 1 5.385 -0.708 -0.967 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 7.040 1.103 -1.204 0.00 0.00 -0.492 OA BRANCH 33 34 ATOM 34 C LIG 1 8.126 0.178 -1.234 0.00 0.00 +0.229 C BRANCH 34 36 ATOM 35 C LIG 1 9.045 1.024 0.972 0.00 0.00 +0.007 C ATOM 36 C LIG 1 8.596 -0.192 0.172 0.00 0.00 +0.038 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9