REMARK Name = BDB024651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.034 1.621 -0.596 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.155 0.615 -0.154 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.718 -0.573 0.520 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.864 -0.333 2.028 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.931 -1.839 0.193 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.486 -1.689 0.609 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.900 -0.402 0.103 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.493 -0.276 0.011 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.528 -1.202 0.327 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.635 -0.633 0.062 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.457 0.663 -0.387 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.908 0.899 -0.430 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.676 2.005 -0.787 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.071 1.882 -0.688 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.712 0.708 -0.257 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.743 2.614 -1.252 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.466 1.671 -0.708 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.116 2.267 0.549 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -3.063 3.408 0.186 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -4.119 2.990 -0.844 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -3.454 2.390 -2.090 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -2.522 1.232 -1.733 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -4.858 4.165 -1.182 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -6.126 3.893 -1.764 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.268 2.372 -0.639 0.00 0.00 +0.282 C ATOM 26 O LIG 1 7.328 1.381 -0.218 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -1.949 -1.328 0.257 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -1.803 -2.689 0.969 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.062 -3.535 0.764 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -4.327 -3.094 1.194 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -5.457 -3.879 0.973 0.00 0.00 +0.159 A ATOM 32 F LIG 1 -6.654 -3.434 1.381 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -5.348 -5.104 0.330 0.00 0.00 +0.158 A ATOM 34 F LIG 1 -6.437 -5.853 0.112 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -4.108 -5.562 -0.099 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -2.969 -4.781 0.116 0.00 0.00 +0.007 A ENDBRANCH 28 29 BRANCH 28 37 ATOM 37 C LIG 1 -1.456 -2.493 2.446 0.00 0.00 +0.313 C ATOM 38 O LIG 1 -2.247 -2.602 3.373 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -0.160 -2.168 2.668 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 0.342 -1.979 1.835 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 28 37 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8