REMARK Name = BDB023873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.339 3.124 2.400 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.273 3.117 1.334 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.022 1.913 0.689 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.041 1.963 -0.408 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -1.577 0.591 -0.754 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -0.538 0.177 -1.619 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -0.439 -1.158 -1.635 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -1.401 -1.606 -0.795 0.00 0.00 -0.262 N ATOM 9 C LIG 1 -2.119 -0.577 -0.252 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.237 -0.597 0.726 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -3.957 0.769 0.704 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -2.656 4.150 1.072 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 0.347 1.014 -2.421 0.00 0.00 +0.012 A ATOM 14 C LIG 1 1.726 1.165 -2.106 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.526 1.997 -2.920 0.00 0.00 +0.072 A ATOM 16 N LIG 1 3.835 2.198 -2.693 0.00 0.00 -0.254 NA ATOM 17 C LIG 1 4.404 1.574 -1.634 0.00 0.00 +0.120 A ATOM 18 C LIG 1 3.729 0.738 -0.759 0.00 0.00 +0.004 A ATOM 19 C LIG 1 1.945 2.644 -4.001 0.00 0.00 +0.028 A ATOM 20 C LIG 1 0.594 2.497 -4.312 0.00 0.00 +0.003 A ATOM 21 C LIG 1 2.372 0.538 -1.012 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -0.206 1.682 -3.523 0.00 0.00 +0.011 A BRANCH 18 23 ATOM 23 C LIG 1 4.410 0.105 0.354 0.00 0.00 +0.021 A ATOM 24 C LIG 1 3.816 -0.276 1.541 0.00 0.00 +0.116 A ATOM 25 N LIG 1 4.808 -0.805 2.316 0.00 0.00 -0.274 N ATOM 26 C LIG 1 4.679 -1.333 3.652 0.00 0.00 +0.172 C ATOM 27 N LIG 1 6.013 -0.800 1.720 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 5.770 -0.244 0.530 0.00 0.00 +0.143 A ENDBRANCH 18 23 ENDBRANCH 6 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.449 -3.046 -0.594 0.00 0.00 +0.135 C ATOM 30 C LIG 1 -2.817 -3.658 -0.376 0.00 0.00 +0.186 C ATOM 31 O LIG 1 -3.023 -3.748 1.043 0.00 0.00 -0.378 OA ATOM 32 C LIG 1 -1.756 -3.611 1.700 0.00 0.00 +0.162 C ATOM 33 C LIG 1 -0.686 -3.495 0.635 0.00 0.00 +0.057 C ENDBRANCH 8 29 TORSDOF 3