REMARK Name = BDB009338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.816 -0.485 0.301 0.00 0.00 +0.070 A ATOM 2 C LIG 1 2.286 -1.785 0.073 0.00 0.00 +0.145 A ATOM 3 F LIG 1 3.451 -1.963 -0.571 0.00 0.00 -0.204 F ATOM 4 C LIG 1 1.573 -2.902 0.494 0.00 0.00 +0.040 A ATOM 5 C LIG 1 0.360 -2.730 1.158 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.135 -1.440 1.406 0.00 0.00 -0.040 A ATOM 7 C LIG 1 0.608 -0.323 0.982 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 3.279 2.733 -0.687 0.00 0.00 -0.299 N ATOM 9 H LIG 1 3.019 3.710 -0.616 0.00 0.00 +0.150 HD ATOM 10 C LIG 1 2.320 1.913 -0.171 0.00 0.00 +0.304 C ATOM 11 N LIG 1 2.607 0.579 -0.181 0.00 0.00 -0.267 N ATOM 12 H LIG 1 3.458 0.292 -0.640 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 1.291 2.431 0.252 0.00 0.00 -0.253 OA BRANCH 8 14 ATOM 14 C LIG 1 4.606 2.428 -1.190 0.00 0.00 +0.105 C BRANCH 14 16 ATOM 15 C LIG 1 5.907 3.459 0.725 0.00 0.00 +0.005 C ATOM 16 C LIG 1 5.622 2.196 -0.074 0.00 0.00 +0.015 C ENDBRANCH 14 16 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 6 17 ATOM 17 C LIG 1 -1.446 -1.253 2.135 0.00 0.00 +0.092 C BRANCH 17 18 ATOM 18 C LIG 1 -2.641 -1.802 1.360 0.00 0.00 +0.069 A ATOM 19 C LIG 1 -3.218 -1.018 0.223 0.00 0.00 -0.016 A ATOM 20 C LIG 1 -2.705 0.353 -0.119 0.00 0.00 +0.037 C ATOM 21 C LIG 1 -3.668 1.152 -1.004 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.200 0.298 -2.147 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -4.922 -0.944 -1.622 0.00 0.00 +0.041 C ATOM 24 C LIG 1 -4.232 -1.589 -0.450 0.00 0.00 +0.023 A ATOM 25 C LIG 1 -4.748 -2.917 -0.035 0.00 0.00 +0.268 A ATOM 26 O LIG 1 -5.675 -3.464 -0.623 0.00 0.00 -0.266 OA ATOM 27 N LIG 1 -4.138 -3.483 1.051 0.00 0.00 -0.243 N ATOM 28 H LIG 1 -4.479 -4.389 1.354 0.00 0.00 +0.192 HD ATOM 29 N LIG 1 -3.091 -2.961 1.742 0.00 0.00 -0.175 NA ENDBRANCH 17 18 ENDBRANCH 6 17 TORSDOF 5