REMARK Name = BDB038366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.478 -0.867 -0.164 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.579 -1.422 -0.892 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.655 -2.456 -1.530 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.708 -0.489 -0.784 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.974 -0.600 -1.330 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.889 0.436 -1.091 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.492 1.548 -0.312 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.200 1.643 0.246 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.315 0.600 -0.014 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.104 0.418 0.420 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.074 -1.208 0.879 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -2.749 -0.743 0.756 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -1.782 -1.414 -0.012 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.160 -2.613 -0.623 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.459 -3.113 -0.491 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.409 -2.413 0.249 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -5.352 0.934 1.391 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -5.085 -0.437 1.637 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -5.805 -1.076 2.667 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.749 -0.388 3.433 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.989 0.960 3.193 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.291 1.618 2.183 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -5.660 0.604 -1.709 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -4.797 1.515 -1.008 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -4.668 1.695 0.346 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -3.800 2.671 0.549 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -3.332 3.099 -0.671 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -3.942 2.397 -1.595 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.789 2.840 1.062 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.848 3.561 1.525 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.025 3.710 0.350 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.062 2.503 2.161 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.286 0.367 -1.678 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 6.032 -0.824 -1.244 0.00 0.00 -0.295 NA ATOM 35 C LIG 1 7.325 -0.935 -1.954 0.00 0.00 +0.121 C ATOM 36 C LIG 1 8.410 -0.382 -1.030 0.00 0.00 +0.181 C ATOM 37 F LIG 1 9.296 -1.373 -0.738 0.00 0.00 -0.244 F ATOM 38 C LIG 1 7.691 0.019 0.241 0.00 0.00 +0.053 C ATOM 39 C LIG 1 6.406 -0.787 0.181 0.00 0.00 +0.087 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 6