REMARK Name = BDB032266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.845 -1.147 1.124 0.00 0.00 +0.138 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 1.288 -0.466 0.337 0.00 0.00 +0.119 A ATOM 3 N LIG 1 0.688 0.203 1.337 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -0.626 -0.039 1.554 0.00 0.00 +0.118 A ATOM 5 C LIG 1 -1.388 -0.939 0.819 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -0.750 -1.605 -0.226 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.601 -1.365 -0.470 0.00 0.00 +0.044 A BRANCH 2 8 ATOM 8 N LIG 1 2.638 -0.167 0.139 0.00 0.00 -0.329 N ATOM 9 H LIG 1 2.817 0.532 0.861 0.00 0.00 +0.147 HD BRANCH 8 10 ATOM 10 C LIG 1 3.526 -1.320 0.290 0.00 0.00 +0.106 C BRANCH 10 15 ATOM 11 C LIG 1 8.730 0.895 -0.706 0.00 0.00 +0.104 C ATOM 12 N LIG 1 7.488 0.163 -0.474 0.00 0.00 -0.305 NA ATOM 13 C LIG 1 6.461 0.517 -1.454 0.00 0.00 +0.084 C ATOM 14 C LIG 1 5.281 -0.459 -1.364 0.00 0.00 +0.020 C ATOM 15 C LIG 1 4.997 -0.929 0.077 0.00 0.00 +0.008 C ATOM 16 C LIG 1 5.508 0.106 1.083 0.00 0.00 +0.020 C ATOM 17 C LIG 1 7.014 0.355 0.905 0.00 0.00 +0.084 C ENDBRANCH 10 15 ENDBRANCH 8 10 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 18 ATOM 18 N LIG 1 -3.614 -0.022 0.609 0.00 0.00 -0.339 N ATOM 19 H LIG 1 -3.240 0.330 -0.274 0.00 0.00 +0.146 HD BRANCH 18 20 ATOM 20 C LIG 1 -5.021 -0.092 0.588 0.00 0.00 +0.038 A ATOM 21 C LIG 1 -5.769 0.674 -0.364 0.00 0.00 +0.043 A ATOM 22 C LIG 1 -7.187 0.661 -0.322 0.00 0.00 +0.026 A ATOM 23 C LIG 1 -7.899 1.413 -1.288 0.00 0.00 +0.124 A ATOM 24 N LIG 1 -7.313 2.164 -2.238 0.00 0.00 -0.237 NA ATOM 25 C LIG 1 -5.966 2.169 -2.259 0.00 0.00 +0.151 A ATOM 26 C LIG 1 -7.834 -0.088 0.682 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -7.109 -0.809 1.623 0.00 0.00 +0.003 A ATOM 28 C LIG 1 -5.178 1.454 -1.374 0.00 0.00 +0.151 A ATOM 29 F LIG 1 -3.844 1.509 -1.521 0.00 0.00 -0.203 F ATOM 30 C LIG 1 -5.718 -0.801 1.579 0.00 0.00 +0.023 A BRANCH 23 31 ATOM 31 N LIG 1 -9.296 1.438 -1.323 0.00 0.00 -0.343 N ATOM 32 H LIG 1 -9.550 2.021 -2.118 0.00 0.00 +0.144 HD ATOM 33 H LIG 1 -9.672 0.502 -1.419 0.00 0.00 +0.144 HD ENDBRANCH 23 31 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 7