REMARK Name = BDB024910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.842 0.054 0.673 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.642 -0.529 1.126 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.735 -1.925 1.607 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.484 -2.007 2.946 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.389 -2.642 1.779 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.443 -2.279 0.656 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.238 -0.793 0.697 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.977 -0.210 0.450 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.215 -0.823 0.171 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.100 0.136 -0.013 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.507 1.379 0.128 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.821 1.169 0.465 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.882 2.026 0.763 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.133 1.441 1.006 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.341 0.055 0.941 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.939 -0.495 0.771 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.082 2.688 -0.111 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.563 2.943 -1.550 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -2.938 3.588 -1.415 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -2.959 4.164 -0.008 0.00 0.00 +0.002 C ATOM 21 C LIG 1 -2.236 3.100 0.805 0.00 0.00 +0.025 C ENDBRANCH 11 17 BRANCH 1 23 ATOM 22 C LIG 1 6.886 1.879 -0.419 0.00 0.00 +0.282 C ATOM 23 O LIG 1 5.692 1.259 0.061 0.00 0.00 -0.453 OA ENDBRANCH 1 23 BRANCH 10 24 ATOM 24 C LIG 1 -2.545 -0.116 -0.335 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 -2.816 -1.597 -0.674 0.00 0.00 +0.135 C BRANCH 25 26 ATOM 26 C LIG 1 -4.150 -1.779 -1.391 0.00 0.00 -0.030 A ATOM 27 C LIG 1 -5.358 -1.348 -0.818 0.00 0.00 +0.045 A ATOM 28 C LIG 1 -6.561 -1.530 -1.498 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -7.701 -1.107 -0.936 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -6.579 -2.140 -2.747 0.00 0.00 +0.158 A ATOM 31 F LIG 1 -7.735 -2.302 -3.402 0.00 0.00 -0.202 F ATOM 32 C LIG 1 -5.396 -2.579 -3.328 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -4.185 -2.399 -2.653 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 34 ATOM 34 C LIG 1 -2.766 -2.430 0.592 0.00 0.00 +0.313 C ATOM 35 O LIG 1 -3.224 -2.128 1.681 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -2.204 -3.643 0.419 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -2.190 -4.009 1.329 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 25 34 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 7