REMARK Name = BDB024236 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.288 -0.908 0.090 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.215 -2.282 0.751 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.286 -2.779 1.514 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.209 -4.031 2.123 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.059 -4.805 1.982 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.987 -4.327 1.229 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.065 -3.074 0.618 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -1.201 0.857 1.600 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -1.416 1.515 2.335 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -2.322 0.203 1.180 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -3.377 0.542 1.740 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 2.849 0.639 0.504 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.830 -0.102 -0.100 0.00 0.00 +0.136 A ATOM 14 N LIG 1 0.507 -0.069 0.222 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 0.131 0.751 1.209 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.051 1.544 1.880 0.00 0.00 +0.045 A ATOM 17 C LIG 1 2.404 1.482 1.526 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 C LIG 1 8.249 0.389 0.324 0.00 0.00 +0.011 C ATOM 19 C LIG 1 7.055 0.353 -0.647 0.00 0.00 -0.032 C ATOM 20 C LIG 1 6.153 -0.853 -0.290 0.00 0.00 +0.025 C ATOM 21 C LIG 1 4.681 -0.601 -0.621 0.00 0.00 +0.105 C ATOM 22 N LIG 1 4.181 0.554 0.134 0.00 0.00 -0.329 N ATOM 23 C LIG 1 5.134 1.617 0.475 0.00 0.00 +0.105 C ATOM 24 C LIG 1 6.259 1.676 -0.559 0.00 0.00 +0.025 C ATOM 25 C LIG 1 7.605 0.195 -2.077 0.00 0.00 +0.011 C ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -3.506 -0.833 -0.769 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.544 -1.684 -1.330 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.477 0.337 -1.655 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.751 0.437 -2.516 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.960 1.090 -1.876 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.848 1.818 -2.686 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.988 2.418 -2.142 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -8.264 2.292 -0.778 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -7.399 1.554 0.034 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.261 0.952 -0.514 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -9.428 2.913 -0.219 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -10.373 3.422 0.223 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9