REMARK Name = BDB035599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.136 -0.354 -1.053 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.477 -0.291 -1.451 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.991 0.104 -2.480 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.277 -0.835 -0.345 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.650 -0.978 -0.259 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.181 -1.541 0.909 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.311 -1.924 1.958 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.915 -1.766 1.857 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.419 -1.213 0.679 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.009 -0.918 0.283 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.428 0.382 -2.001 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.292 -0.046 -1.282 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.992 0.079 -1.805 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -0.857 0.643 -3.078 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -1.972 1.079 -3.800 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.249 0.953 -3.265 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.818 0.234 -1.391 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -4.660 -2.753 -2.315 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.664 -1.798 -2.700 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.769 -0.482 -2.322 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -6.830 0.032 -2.917 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.418 -0.947 -3.679 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.705 -2.038 -3.542 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.401 1.601 -0.951 0.00 0.00 +0.019 C BRANCH 24 25 ATOM 25 C LIG 1 -4.568 2.364 0.102 0.00 0.00 -0.010 C ATOM 26 C LIG 1 -4.491 1.676 1.466 0.00 0.00 +0.003 C ATOM 27 C LIG 1 -5.803 2.031 2.157 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -6.247 3.361 1.553 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -5.225 3.699 0.470 0.00 0.00 +0.003 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 0.988 -2.169 2.970 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.271 -1.116 3.450 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.618 -2.719 4.042 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.066 -3.086 2.563 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.679 -1.693 1.060 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.248 -0.483 1.649 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.859 -0.347 2.580 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.717 -0.474 1.608 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.196 -0.146 0.165 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.125 0.920 0.782 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.165 0.969 1.990 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.393 -1.593 2.377 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9