REMARK Name = BDB063562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.156 1.596 -1.364 0.00 0.00 +0.052 C ATOM 2 C LIG 1 1.017 0.773 -0.818 0.00 0.00 +0.129 C ATOM 3 C LIG 1 1.780 -0.374 -0.193 0.00 0.00 +0.248 C ATOM 4 O LIG 1 1.258 -1.323 0.377 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 3.131 -0.061 -0.394 0.00 0.00 -0.160 N ATOM 6 N LIG 1 3.329 1.113 -1.089 0.00 0.00 -0.181 NA ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.269 -0.799 0.019 0.00 0.00 +0.060 A ATOM 8 C LIG 1 5.560 -0.324 -0.269 0.00 0.00 +0.026 A ATOM 9 C LIG 1 6.701 -1.031 0.127 0.00 0.00 +0.017 A ATOM 10 C LIG 1 6.574 -2.234 0.824 0.00 0.00 +0.059 A ATOM 11 C LIG 1 5.298 -2.721 1.119 0.00 0.00 +0.017 A ATOM 12 C LIG 1 4.158 -2.008 0.719 0.00 0.00 +0.026 A BRANCH 10 13 ATOM 13 C LIG 1 7.807 -2.952 1.226 0.00 0.00 +0.337 C ATOM 14 O LIG 1 8.948 -2.589 1.006 0.00 0.00 -0.245 OA BRANCH 13 15 ATOM 15 O LIG 1 7.553 -4.095 1.889 0.00 0.00 -0.477 OA ATOM 16 H LIG 1 8.444 -4.454 2.085 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 18 ATOM 17 C LIG 1 0.690 2.907 -2.965 0.00 0.00 +0.013 C ATOM 18 C LIG 1 1.996 2.859 -2.181 0.00 0.00 +0.030 C ATOM 19 C LIG 1 2.181 4.097 -1.310 0.00 0.00 +0.013 C ENDBRANCH 1 18 BRANCH 2 20 ATOM 20 C LIG 1 0.201 1.488 0.253 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -1.174 0.909 0.396 0.00 0.00 +0.018 A ATOM 22 N LIG 1 -1.384 -0.385 0.812 0.00 0.00 -0.364 N ATOM 23 H LIG 1 -0.648 -1.056 1.020 0.00 0.00 +0.165 HD ATOM 24 C LIG 1 -2.730 -0.649 0.829 0.00 0.00 +0.094 A ATOM 25 C LIG 1 -3.412 0.491 0.439 0.00 0.00 +0.040 A ATOM 26 C LIG 1 -2.413 1.470 0.162 0.00 0.00 +0.034 A BRANCH 25 27 ATOM 27 C LIG 1 -4.852 0.672 0.294 0.00 0.00 +0.197 C ATOM 28 O LIG 1 -5.354 1.675 -0.205 0.00 0.00 -0.287 OA BRANCH 27 29 ATOM 29 C LIG 1 -5.771 -0.372 0.785 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -6.714 -0.962 -0.059 0.00 0.00 +0.137 A ATOM 31 C LIG 1 -7.652 -1.881 0.432 0.00 0.00 +0.033 A ATOM 32 C LIG 1 -7.640 -2.207 1.789 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -6.706 -1.618 2.644 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.778 -0.697 2.149 0.00 0.00 +0.014 A BRANCH 30 35 ATOM 35 N LIG 1 -6.711 -0.682 -1.483 0.00 0.00 +0.057 N ATOM 36 O LIG 1 -5.640 -0.835 -2.085 0.00 0.00 -0.126 OA ATOM 37 O LIG 1 -7.796 -0.386 -2.002 0.00 0.00 -0.126 OA ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 20 21 ENDBRANCH 2 20 TORSDOF 9