REMARK Name = BDB051278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.959 0.432 0.267 0.00 0.00 +0.095 A ATOM 2 N LIG 1 -0.029 -0.451 0.033 0.00 0.00 -0.164 NA ATOM 3 N LIG 1 -1.163 0.272 0.103 0.00 0.00 -0.215 N ATOM 4 C LIG 1 -0.933 1.596 0.375 0.00 0.00 +0.138 A ATOM 5 N LIG 1 -1.965 2.499 0.487 0.00 0.00 -0.307 N ATOM 6 H LIG 1 -1.796 3.477 0.688 0.00 0.00 +0.170 HD ATOM 7 C LIG 1 -3.277 2.095 0.326 0.00 0.00 +0.259 A ATOM 8 C LIG 1 -3.522 0.651 0.029 0.00 0.00 +0.065 A ATOM 9 C LIG 1 -4.828 0.184 -0.144 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -5.051 -1.168 -0.422 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -3.975 -2.055 -0.527 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -2.667 -1.600 -0.357 0.00 0.00 +0.028 A ATOM 13 O LIG 1 -4.204 2.891 0.423 0.00 0.00 -0.267 OA ATOM 14 C LIG 1 -2.452 -0.248 -0.080 0.00 0.00 +0.080 A ATOM 15 C LIG 1 0.425 1.738 0.488 0.00 0.00 +0.076 A ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 5.066 -0.823 0.279 0.00 0.00 +0.052 A ATOM 17 C LIG 1 4.047 -1.745 0.035 0.00 0.00 +0.019 A ATOM 18 C LIG 1 2.711 -1.328 0.033 0.00 0.00 +0.011 A ATOM 19 C LIG 1 2.369 0.013 0.273 0.00 0.00 +0.002 A ATOM 20 C LIG 1 3.403 0.929 0.516 0.00 0.00 +0.011 A ATOM 21 C LIG 1 4.742 0.515 0.519 0.00 0.00 +0.019 A BRANCH 16 23 ATOM 22 N LIG 1 7.547 -1.582 0.286 0.00 0.00 -0.191 NA ATOM 23 C LIG 1 6.437 -1.244 0.282 0.00 0.00 +0.099 C ENDBRANCH 16 23 ENDBRANCH 1 19 TORSDOF 2