REMARK Name = BDB065031 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.048 -1.553 0.139 0.00 0.00 -0.016 A ATOM 2 C LIG 1 2.180 -1.554 1.166 0.00 0.00 +0.102 A ATOM 3 N LIG 1 0.861 -1.283 0.931 0.00 0.00 -0.250 N ATOM 4 C LIG 1 0.325 -1.005 -0.286 0.00 0.00 +0.174 A ATOM 5 N LIG 1 -0.951 -0.783 -0.272 0.00 0.00 -0.143 NA ATOM 6 N LIG 1 -1.312 -0.917 1.060 0.00 0.00 -0.180 N ATOM 7 C LIG 1 1.242 -0.995 -1.441 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -0.177 -1.236 1.842 0.00 0.00 +0.356 A ATOM 9 O LIG 1 -0.086 -1.433 3.046 0.00 0.00 -0.244 OA ATOM 10 C LIG 1 2.542 -1.267 -1.203 0.00 0.00 +0.022 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.657 -0.744 1.452 0.00 0.00 +0.071 A ATOM 12 C LIG 1 -3.639 -0.423 0.491 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -4.997 -0.255 0.827 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -5.341 -0.383 2.185 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.384 -0.698 3.150 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.052 -0.883 2.784 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 C LIG 1 -6.078 0.111 -0.217 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -5.627 -0.068 -1.700 0.00 0.00 +0.107 C ATOM 19 C LIG 1 -4.966 1.160 -2.284 0.00 0.00 +0.214 C ATOM 20 O LIG 1 -3.968 1.122 -2.993 0.00 0.00 -0.276 OA ATOM 21 N LIG 1 -5.619 2.333 -2.026 0.00 0.00 -0.315 N ATOM 22 H LIG 1 -5.222 3.172 -2.434 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 -6.793 2.371 -1.197 0.00 0.00 +0.105 C ATOM 24 C LIG 1 -6.536 1.576 0.074 0.00 0.00 +0.030 C ATOM 25 C LIG 1 -7.296 -0.839 -0.048 0.00 0.00 +0.016 C ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 7 26 ATOM 26 C LIG 1 0.638 -0.681 -2.757 0.00 0.00 +0.421 C ATOM 27 F LIG 1 -0.330 -1.564 -3.107 0.00 0.00 -0.166 F ATOM 28 F LIG 1 0.102 0.562 -2.797 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.563 -0.726 -3.757 0.00 0.00 -0.166 F ENDBRANCH 7 26 BRANCH 1 30 ATOM 30 C LIG 1 4.522 -1.849 0.306 0.00 0.00 +0.121 C BRANCH 30 34 ATOM 31 C LIG 1 6.122 2.790 1.027 0.00 0.00 +0.009 C ATOM 32 C LIG 1 6.193 1.565 0.117 0.00 0.00 +0.000 C ATOM 33 C LIG 1 5.323 0.423 0.670 0.00 0.00 +0.088 C ATOM 34 N LIG 1 5.394 -0.771 -0.192 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.781 -1.252 -0.296 0.00 0.00 +0.085 C ATOM 36 C LIG 1 7.699 -0.178 -0.878 0.00 0.00 +0.016 C ATOM 37 C LIG 1 7.643 1.104 -0.056 0.00 0.00 +0.006 C ENDBRANCH 30 34 ENDBRANCH 1 30 TORSDOF 5