REMARK Name = BDB006372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.087 2.852 0.673 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.516 1.892 -0.313 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.088 0.646 -0.718 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.228 0.069 -1.655 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.511 -1.171 -2.256 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.689 -1.831 -1.894 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.558 -1.283 -0.950 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.841 0.936 -1.814 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.273 -0.039 -0.368 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.674 2.047 -1.008 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.665 3.161 -0.946 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.795 -2.038 -0.607 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.267 -1.873 0.678 0.00 0.00 -0.311 N ATOM 14 H LIG 1 3.702 -1.373 1.350 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.316 -2.772 -1.437 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.463 -2.535 1.161 0.00 0.00 +0.108 C BRANCH 16 17 ATOM 17 C LIG 1 6.663 -1.585 1.326 0.00 0.00 +0.006 C ATOM 18 C LIG 1 7.137 -0.974 -0.009 0.00 0.00 +0.005 C ATOM 19 C LIG 1 6.718 0.483 -0.172 0.00 0.00 +0.000 C ATOM 20 C LIG 1 7.258 1.365 0.955 0.00 0.00 +0.000 C ATOM 21 C LIG 1 7.391 0.635 2.293 0.00 0.00 +0.000 C ATOM 22 C LIG 1 6.404 -0.519 2.408 0.00 0.00 +0.005 C ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 23 ATOM 23 C LIG 1 -1.951 0.726 -2.746 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -3.243 0.351 -2.059 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -4.433 1.001 -2.415 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -5.643 0.662 -1.802 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -5.694 -0.338 -0.823 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -4.508 -1.004 -0.484 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -3.298 -0.668 -1.098 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -6.963 -0.699 -0.179 0.00 0.00 -0.004 A ATOM 31 C LIG 1 -7.386 -0.164 1.054 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -8.592 -0.590 1.637 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -9.387 -1.542 1.000 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.985 -2.074 -0.221 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.786 -1.657 -0.803 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -6.596 0.880 1.753 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -5.999 1.815 1.259 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -6.601 0.683 3.086 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -6.033 1.406 3.425 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 8