REMARK Name = BDB027025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.576 1.867 -0.450 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.613 2.894 0.675 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.645 2.510 2.026 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.684 3.470 3.039 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.708 4.825 2.716 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.700 5.222 1.381 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.659 4.264 0.367 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.588 0.706 -0.143 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.005 -0.379 0.277 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.375 -1.433 -0.170 0.00 0.00 +0.006 A ATOM 11 C LIG 1 4.348 -0.068 -0.500 0.00 0.00 +0.036 A ATOM 12 C LIG 1 3.108 0.591 -0.526 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.903 -0.047 -0.236 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.851 0.924 -0.360 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.462 2.113 -0.722 0.00 0.00 +0.095 A ATOM 16 C LIG 1 1.943 -1.417 0.095 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.812 1.902 -0.812 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.498 2.606 -1.049 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.173 -2.090 0.122 0.00 0.00 +0.011 A BRANCH 10 24 ATOM 20 C LIG 1 9.127 -2.869 -0.178 0.00 0.00 +0.174 C ATOM 21 N LIG 1 7.692 -2.791 -0.131 0.00 0.00 -0.254 N ATOM 22 N LIG 1 6.966 -3.903 0.053 0.00 0.00 -0.065 NA ATOM 23 N LIG 1 5.690 -3.542 0.061 0.00 0.00 -0.130 NA ATOM 24 C LIG 1 5.622 -2.182 -0.126 0.00 0.00 +0.113 A ATOM 25 C LIG 1 6.903 -1.687 -0.251 0.00 0.00 +0.138 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.953 1.358 -0.682 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.154 0.695 0.073 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.076 0.651 -1.963 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.494 0.091 -2.165 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.871 -0.986 -1.172 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.315 -2.269 -1.266 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.650 -3.256 -0.335 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.546 -2.970 0.699 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.104 -1.692 0.799 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.767 -0.706 -0.131 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -5.891 -3.982 1.653 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.177 -4.801 2.424 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9