REMARK Name = BDB028048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.722 -1.579 -0.604 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.254 -0.261 -0.522 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.834 0.788 -0.313 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.191 -0.303 -0.774 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.089 0.749 -0.835 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.418 0.460 -1.176 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.791 -0.881 -1.438 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.868 -1.942 -1.350 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.558 -1.622 -1.015 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.364 -2.510 -0.873 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.498 -1.470 -0.382 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.136 -1.086 -0.407 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.077 -2.004 -0.510 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.399 -3.365 -0.546 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.727 -3.787 -0.489 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.757 -2.851 -0.414 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.692 -0.385 -0.333 0.00 0.00 +0.049 C ATOM 18 C LIG 1 6.767 -0.546 -1.452 0.00 0.00 +0.174 C ATOM 19 O LIG 1 6.780 0.884 -1.686 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.465 0.982 -1.058 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.300 -0.350 1.091 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 9.268 0.692 0.633 0.00 0.00 +0.151 C ATOM 23 N LIG 1 8.191 1.369 1.302 0.00 0.00 -0.320 N ATOM 24 C LIG 1 6.909 0.939 1.536 0.00 0.00 +0.134 A ATOM 25 N LIG 1 6.285 1.862 2.243 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 7.146 2.913 2.441 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 8.278 2.612 1.852 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -3.263 -3.362 -1.652 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -4.601 -3.538 -1.796 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.689 -3.818 -2.802 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.871 -4.227 -0.679 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.432 1.579 -1.304 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -5.271 1.850 -0.131 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 -6.170 0.751 0.235 0.00 0.00 +0.096 C ATOM 35 C LIG 1 -7.186 1.236 1.275 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -8.291 0.205 1.578 0.00 0.00 +0.170 C ATOM 37 O LIG 1 -9.233 0.906 0.727 0.00 0.00 -0.378 OA ATOM 38 C LIG 1 -8.353 2.061 0.685 0.00 0.00 +0.170 C ATOM 39 C LIG 1 -6.497 1.808 2.514 0.00 0.00 +0.014 C ATOM 40 C LIG 1 -5.501 2.885 2.086 0.00 0.00 +0.016 C ATOM 41 C LIG 1 -4.526 2.361 1.026 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7