REMARK Name = BDB018923 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.512 -2.489 -0.155 0.00 0.00 -0.300 N ATOM 2 C LIG 1 -0.564 -1.552 -0.117 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.761 -1.817 0.575 0.00 0.00 -0.025 A ATOM 4 C LIG 1 -2.786 -0.854 0.626 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.669 0.373 -0.040 0.00 0.00 -0.006 A ATOM 6 C LIG 1 -1.520 0.631 -0.800 0.00 0.00 +0.027 A ATOM 7 C LIG 1 -1.973 -3.119 1.301 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.057 -4.191 0.744 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.494 -0.337 -0.829 0.00 0.00 +0.033 A ATOM 10 C LIG 1 0.364 -3.660 0.737 0.00 0.00 +0.111 C ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 4.753 0.216 -0.065 0.00 0.00 +0.082 A ATOM 12 C LIG 1 3.831 -0.773 -0.363 0.00 0.00 +0.081 A ATOM 13 N LIG 1 4.443 -1.638 -1.276 0.00 0.00 -0.239 N ATOM 14 C LIG 1 3.763 -2.713 -1.842 0.00 0.00 +0.115 A ATOM 15 C LIG 1 2.490 -2.963 -1.502 0.00 0.00 +0.043 A ATOM 16 C LIG 1 1.818 -2.121 -0.509 0.00 0.00 +0.037 A ATOM 17 N LIG 1 5.728 -1.277 -1.509 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 2.496 -1.084 0.040 0.00 0.00 +0.052 A ATOM 19 C LIG 1 5.909 -0.183 -0.769 0.00 0.00 +0.148 A BRANCH 11 23 ATOM 20 C LIG 1 3.136 3.148 1.587 0.00 0.00 +0.128 C ATOM 21 N LIG 1 3.365 1.901 0.904 0.00 0.00 -0.314 N ATOM 22 H LIG 1 2.678 1.605 0.224 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 4.638 1.386 0.785 0.00 0.00 +0.247 C ATOM 24 O LIG 1 5.620 1.903 1.307 0.00 0.00 -0.270 OA ENDBRANCH 11 23 ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 -3.763 1.316 0.064 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -3.662 2.584 0.593 0.00 0.00 +0.116 A ATOM 27 N LIG 1 -4.916 3.120 0.532 0.00 0.00 -0.274 N ATOM 28 C LIG 1 -5.322 4.435 0.967 0.00 0.00 +0.172 C ATOM 29 N LIG 1 -5.830 2.284 0.006 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 -5.129 1.179 -0.263 0.00 0.00 +0.142 A ENDBRANCH 5 25 BRANCH 6 31 ATOM 31 C LIG 1 -1.333 1.913 -1.571 0.00 0.00 +0.372 C ATOM 32 F LIG 1 -0.369 1.819 -2.535 0.00 0.00 -0.204 F ATOM 33 F LIG 1 -0.931 2.942 -0.771 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 4