REMARK Name = BDB055487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.185 0.776 -0.258 0.00 0.00 +0.127 A ATOM 2 N LIG 1 1.065 2.104 -0.415 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 2.178 2.838 -0.438 0.00 0.00 +0.215 A ATOM 4 N LIG 1 3.411 2.365 -0.281 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 3.536 1.034 -0.116 0.00 0.00 +0.078 A ATOM 6 C LIG 1 2.432 0.202 -0.092 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.918 0.534 0.051 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.320 -0.710 -0.482 0.00 0.00 +0.037 A ATOM 9 C LIG 1 6.645 -1.124 -0.284 0.00 0.00 +0.068 A ATOM 10 C LIG 1 7.583 -0.369 0.408 0.00 0.00 +0.041 A ATOM 11 C LIG 1 8.770 -1.148 0.370 0.00 0.00 +0.146 A ATOM 12 N LIG 1 8.604 -2.289 -0.292 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 7.193 0.872 0.938 0.00 0.00 +0.014 A ATOM 14 N LIG 1 7.316 -2.252 -0.672 0.00 0.00 -0.275 N ATOM 15 H LIG 1 6.953 -3.037 -1.200 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 5.871 1.304 0.747 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 9.940 -0.786 0.917 0.00 0.00 -0.341 N ATOM 18 H LIG 1 10.140 0.197 1.051 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 10.746 -1.318 0.607 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 22 ATOM 20 C LIG 1 0.353 -0.954 -2.539 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -0.002 -1.234 -1.075 0.00 0.00 +0.072 C ATOM 22 N LIG 1 0.031 -0.015 -0.234 0.00 0.00 -0.310 N ATOM 23 C LIG 1 -1.236 0.716 -0.100 0.00 0.00 +0.129 C ATOM 24 C LIG 1 -2.311 -0.173 0.575 0.00 0.00 +0.093 C ATOM 25 C LIG 1 -2.060 -1.674 0.339 0.00 0.00 +0.026 C ATOM 26 C LIG 1 -1.393 -1.900 -1.011 0.00 0.00 +0.024 C BRANCH 24 27 ATOM 27 N LIG 1 -3.647 0.203 0.123 0.00 0.00 -0.277 N ATOM 28 H LIG 1 -3.821 0.395 -0.854 0.00 0.00 +0.152 HD ATOM 29 C LIG 1 -4.765 -0.013 0.870 0.00 0.00 +0.401 C ATOM 30 O LIG 1 -4.773 -0.415 2.021 0.00 0.00 -0.226 OA BRANCH 29 31 ATOM 31 O LIG 1 -5.847 0.278 0.113 0.00 0.00 -0.445 OA BRANCH 31 32 ATOM 32 C LIG 1 -7.186 0.135 0.653 0.00 0.00 +0.107 C ATOM 33 C LIG 1 -7.489 -1.323 1.013 0.00 0.00 +0.055 C ATOM 34 C LIG 1 -7.413 1.078 1.840 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -8.115 0.560 -0.495 0.00 0.00 +0.055 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 24 27 ENDBRANCH 1 22 BRANCH 3 36 ATOM 36 N LIG 1 2.037 4.203 -0.589 0.00 0.00 -0.327 N ATOM 37 H LIG 1 2.836 4.671 -0.186 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 1.122 4.484 -0.267 0.00 0.00 +0.145 HD ENDBRANCH 3 36 TORSDOF 7