REMARK Name = BDB008269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.960 0.925 0.109 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.333 1.067 -0.254 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.148 -0.006 -0.163 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.706 -1.239 0.284 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.634 -1.383 0.658 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.479 -0.273 0.565 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.145 -2.682 1.139 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -1.679 -3.643 0.220 0.00 0.00 +0.008 A ATOM 9 C LIG 1 -2.161 -4.883 0.696 0.00 0.00 +0.072 A ATOM 10 N LIG 1 -2.675 -5.833 -0.106 0.00 0.00 -0.255 NA ATOM 11 C LIG 1 -2.734 -5.588 -1.431 0.00 0.00 +0.111 A ATOM 12 C LIG 1 -2.296 -4.417 -2.010 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.107 -5.144 2.053 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.592 -4.221 2.962 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.765 -3.440 -1.176 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -1.107 -2.987 2.521 0.00 0.00 -0.042 A ATOM 17 C LIG 1 -0.559 -2.017 3.536 0.00 0.00 +0.044 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -3.027 2.327 0.251 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -1.692 2.105 -0.028 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -1.123 2.864 -0.377 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -3.808 1.479 0.671 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.442 3.792 -0.055 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -3.692 3.927 -1.557 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -4.430 4.300 2.114 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -4.656 4.205 0.678 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -4.979 5.106 0.330 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 2.457 0.251 -0.559 0.00 0.00 -0.265 N ATOM 28 H LIG 1 2.629 1.204 -0.865 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 3.538 -0.598 -0.591 0.00 0.00 +0.268 C ATOM 30 O LIG 1 3.556 -1.779 -0.266 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 4.787 0.069 -1.087 0.00 0.00 +0.126 A ATOM 32 N LIG 1 4.668 1.386 -1.424 0.00 0.00 -0.247 NA ATOM 33 C LIG 1 5.784 2.007 -1.874 0.00 0.00 +0.039 A ATOM 34 C LIG 1 5.664 3.455 -2.247 0.00 0.00 +0.065 C ATOM 35 C LIG 1 7.009 1.356 -1.998 0.00 0.00 +0.023 A ATOM 36 C LIG 1 7.101 0.011 -1.647 0.00 0.00 +0.004 A ATOM 37 C LIG 1 5.970 -0.651 -1.182 0.00 0.00 +0.033 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6