REMARK Name = BDB023878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.794 5.465 -1.381 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -2.953 4.604 -1.818 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -2.973 3.289 -1.367 0.00 0.00 -0.297 N ATOM 4 C LIG 1 -2.094 2.818 -0.277 0.00 0.00 +0.146 C ATOM 5 C LIG 1 -2.037 1.333 -0.260 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.233 0.441 0.495 0.00 0.00 +0.098 A ATOM 7 N LIG 1 -1.506 -0.835 0.179 0.00 0.00 -0.170 NA ATOM 8 N LIG 1 -2.465 -0.764 -0.768 0.00 0.00 -0.264 N ATOM 9 C LIG 1 -2.825 0.519 -1.045 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.833 1.010 -2.015 0.00 0.00 +0.074 C ATOM 11 C LIG 1 -4.170 2.476 -1.674 0.00 0.00 +0.114 C ATOM 12 O LIG 1 -3.823 5.070 -2.554 0.00 0.00 -0.276 OA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -0.225 0.770 1.500 0.00 0.00 +0.012 A ATOM 14 C LIG 1 1.147 0.423 1.333 0.00 0.00 +0.011 A ATOM 15 C LIG 1 2.089 0.773 2.330 0.00 0.00 +0.004 A ATOM 16 C LIG 1 3.458 0.423 2.142 0.00 0.00 +0.085 A ATOM 17 C LIG 1 3.840 -0.241 0.975 0.00 0.00 +0.092 A ATOM 18 N LIG 1 2.946 -0.585 0.017 0.00 0.00 -0.253 NA ATOM 19 C LIG 1 1.613 1.460 3.477 0.00 0.00 +0.010 A ATOM 20 C LIG 1 0.267 1.790 3.636 0.00 0.00 +0.001 A ATOM 21 C LIG 1 1.649 -0.255 0.215 0.00 0.00 +0.120 A ATOM 22 C LIG 1 -0.648 1.446 2.651 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 5.209 -0.632 0.659 0.00 0.00 +0.039 A ATOM 24 C LIG 1 5.535 -1.769 -0.058 0.00 0.00 +0.118 A ATOM 25 N LIG 1 6.892 -1.779 -0.175 0.00 0.00 -0.274 N ATOM 26 C LIG 1 7.699 -2.771 -0.843 0.00 0.00 +0.172 C ATOM 27 N LIG 1 7.485 -0.722 0.405 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 6.462 -0.022 0.902 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 16 29 ATOM 29 C LIG 1 4.421 0.734 3.157 0.00 0.00 +0.102 C ATOM 30 N LIG 1 5.179 1.014 3.990 0.00 0.00 -0.191 NA ENDBRANCH 16 29 ENDBRANCH 6 13 BRANCH 8 31 ATOM 31 C LIG 1 -2.989 -1.993 -1.361 0.00 0.00 +0.112 C ATOM 32 C LIG 1 -3.973 -2.677 -0.403 0.00 0.00 +0.055 C ATOM 33 C LIG 1 -4.099 -4.149 -0.752 0.00 0.00 +0.162 C ATOM 34 O LIG 1 -2.864 -4.859 -0.670 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -1.685 -4.065 -0.813 0.00 0.00 +0.162 C ATOM 36 C LIG 1 -1.874 -2.946 -1.823 0.00 0.00 +0.055 C ENDBRANCH 8 31 TORSDOF 4