REMARK Name = BDB024085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.649 -1.304 1.082 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.387 -2.793 0.884 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.865 -3.301 -0.318 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.639 -4.670 -0.472 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.938 -5.549 0.566 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.470 -5.063 1.758 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.696 -3.695 1.916 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.710 -0.652 0.903 0.00 0.00 -0.284 N ATOM 9 H LIG 1 0.795 -1.447 1.526 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -0.574 -0.372 0.431 0.00 0.00 +0.239 C ATOM 11 O LIG 1 -0.843 0.511 -0.379 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.428 1.168 -0.007 0.00 0.00 -0.015 A ATOM 13 C LIG 1 3.249 1.682 -0.560 0.00 0.00 +0.010 A ATOM 14 C LIG 1 2.006 1.100 -0.278 0.00 0.00 +0.024 A ATOM 15 C LIG 1 1.916 -0.007 0.565 0.00 0.00 +0.033 A ATOM 16 C LIG 1 3.092 -0.521 1.124 0.00 0.00 +0.024 A ATOM 17 C LIG 1 4.335 0.059 0.841 0.00 0.00 +0.010 A BRANCH 12 22 ATOM 18 C LIG 1 9.279 1.877 -0.809 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.859 2.077 -0.660 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.337 3.297 -0.875 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.030 3.118 -0.663 0.00 0.00 +0.142 A ATOM 22 C LIG 1 5.708 1.787 -0.306 0.00 0.00 +0.020 A ATOM 23 C LIG 1 6.927 1.139 -0.317 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -3.043 -0.915 0.779 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -3.671 -1.442 1.383 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.457 -1.100 -0.616 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.905 -0.621 -0.847 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.223 0.846 -0.640 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -6.568 1.224 -0.488 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.923 2.566 -0.320 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.936 3.554 -0.310 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -4.598 3.193 -0.474 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.246 1.849 -0.643 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -6.296 4.930 -0.136 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -6.596 6.043 0.006 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9