REMARK Name = BDB009488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.045 1.470 -1.495 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.468 2.793 -1.424 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.587 3.795 -1.295 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.824 3.100 -1.487 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.765 2.073 -1.592 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.357 0.730 -1.621 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.986 0.436 -1.584 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 8 C LIG 1 0.957 2.371 -3.475 0.00 0.00 +0.132 C ATOM 9 N LIG 1 1.311 1.616 -2.277 0.00 0.00 -0.297 N ATOM 10 C LIG 1 0.379 1.115 -1.367 0.00 0.00 +0.249 C ATOM 11 O LIG 1 0.665 0.354 -0.444 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 2.753 1.458 -2.004 0.00 0.00 +0.079 C ATOM 13 C LIG 1 3.203 2.262 -0.778 0.00 0.00 +0.041 C ATOM 14 C LIG 1 4.649 1.929 -0.443 0.00 0.00 +0.110 C ATOM 15 N LIG 1 4.849 0.511 -0.166 0.00 0.00 -0.296 N ATOM 16 C LIG 1 6.017 0.148 0.516 0.00 0.00 +0.265 C ATOM 17 O LIG 1 6.945 0.948 0.669 0.00 0.00 -0.268 OA ATOM 18 C LIG 1 3.812 -0.421 -0.617 0.00 0.00 +0.110 C ATOM 19 C LIG 1 3.212 -0.011 -1.962 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 6.181 -1.231 1.087 0.00 0.00 +0.126 A ATOM 21 N LIG 1 5.068 -1.905 1.480 0.00 0.00 -0.250 NA ATOM 22 C LIG 1 5.253 -3.122 2.033 0.00 0.00 +0.111 A ATOM 23 C LIG 1 6.497 -3.704 2.220 0.00 0.00 +0.020 A ATOM 24 C LIG 1 7.624 -2.995 1.823 0.00 0.00 +0.004 A ATOM 25 C LIG 1 7.468 -1.735 1.252 0.00 0.00 +0.033 A ENDBRANCH 16 20 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 C LIG 1 -4.374 -0.388 -1.704 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -5.420 -0.334 -0.597 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.063 -0.852 0.770 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -3.787 -1.323 1.065 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -3.049 -0.882 0.521 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -3.395 -1.556 2.453 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -4.556 -2.202 3.205 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -5.832 -1.360 3.079 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.046 -0.842 1.684 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -7.378 -0.294 1.345 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -8.290 -0.260 2.166 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -7.526 0.184 0.071 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -8.436 0.557 -0.180 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -6.582 0.161 -0.909 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5