REMARK Name = BDB038624 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.712 0.100 2.088 0.00 0.00 +0.217 A ATOM 2 N LIG 1 -2.368 -0.014 2.068 0.00 0.00 -0.198 NA ATOM 3 C LIG 1 -1.704 0.471 0.996 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -2.374 1.083 -0.058 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -3.773 1.190 -0.035 0.00 0.00 -0.009 A ATOM 6 C LIG 1 -4.448 0.683 1.075 0.00 0.00 +0.075 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.306 0.317 1.001 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.592 0.659 0.000 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.407 1.150 -1.099 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.928 0.299 0.494 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.792 -0.257 1.762 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.904 -0.692 2.457 0.00 0.00 +0.006 A ATOM 13 C LIG 1 4.157 -0.553 1.848 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.295 0.018 0.559 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.153 0.447 -0.132 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.351 -0.283 2.152 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.666 0.144 -0.069 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.191 -1.174 -0.423 0.00 0.00 -0.310 NA ATOM 19 H LIG 1 5.511 -1.631 -1.032 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.468 -1.089 -1.142 0.00 0.00 +0.109 C BRANCH 20 21 ATOM 21 C LIG 1 8.662 -0.687 -0.267 0.00 0.00 +0.174 C BRANCH 21 22 ATOM 22 O LIG 1 9.843 -0.697 -1.075 0.00 0.00 -0.382 OA ATOM 23 C LIG 1 10.998 -0.370 -0.314 0.00 0.00 +0.194 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 24 ATOM 24 C LIG 1 -4.500 1.825 -1.150 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -5.452 1.141 -1.941 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -6.153 1.829 -2.950 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -5.898 3.178 -3.206 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -4.942 3.853 -2.448 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -4.255 3.185 -1.431 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -5.771 -0.273 -1.749 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -4.934 -1.339 -1.972 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -3.589 -1.335 -2.483 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -5.648 -2.457 -1.662 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -6.860 -2.116 -1.296 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -6.943 -0.746 -1.365 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -6.611 3.863 -4.244 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -7.177 4.422 -5.089 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 1 38 ATOM 38 O LIG 1 -4.432 -0.387 3.159 0.00 0.00 -0.477 OA BRANCH 38 40 ATOM 39 C LIG 1 -3.382 -2.453 3.890 0.00 0.00 +0.048 C ATOM 40 C LIG 1 -3.655 -0.989 4.195 0.00 0.00 +0.227 C ENDBRANCH 38 40 ENDBRANCH 1 38 TORSDOF 11