REMARK Name = BDB058103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.578 -0.883 1.915 0.00 0.00 +0.048 C ATOM 2 C LIG 1 -3.328 -0.176 1.471 0.00 0.00 +0.004 C ATOM 3 C LIG 1 -2.821 -0.111 0.213 0.00 0.00 -0.000 C ATOM 4 C LIG 1 -3.516 -0.774 -0.925 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -2.880 -1.729 -1.750 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -3.574 -2.272 -2.838 0.00 0.00 +0.084 A ATOM 7 C LIG 1 -4.876 -1.874 -3.112 0.00 0.00 +0.127 A ATOM 8 C LIG 1 -5.509 -0.922 -2.328 0.00 0.00 +0.039 A ATOM 9 F LIG 1 -5.525 -2.405 -4.156 0.00 0.00 -0.205 F ATOM 10 O LIG 1 -1.592 -2.197 -1.662 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 -0.821 -1.946 -0.484 0.00 0.00 +0.265 C ATOM 12 C LIG 1 -0.454 -0.488 -0.349 0.00 0.00 -0.002 A ATOM 13 C LIG 1 0.852 -0.034 -0.571 0.00 0.00 +0.013 A ATOM 14 C LIG 1 1.170 1.329 -0.450 0.00 0.00 -0.027 A ATOM 15 C LIG 1 0.142 2.239 -0.154 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -1.164 1.795 0.057 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.827 -0.366 -1.245 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -1.458 0.431 -0.013 0.00 0.00 -0.010 A ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 -2.533 0.340 2.605 0.00 0.00 +0.179 A ATOM 20 N LIG 1 -2.723 1.599 2.989 0.00 0.00 -0.272 N ATOM 21 H LIG 1 -3.329 2.299 2.602 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -1.861 1.822 3.991 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -1.707 2.884 4.573 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -1.174 0.661 4.245 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -1.654 -0.297 3.296 0.00 0.00 -0.055 NA ENDBRANCH 2 19 BRANCH 14 26 ATOM 26 C LIG 1 2.574 1.837 -0.684 0.00 0.00 +0.158 C BRANCH 26 27 ATOM 27 N LIG 1 3.577 1.064 0.007 0.00 0.00 -0.322 N ATOM 28 C LIG 1 3.755 0.871 1.348 0.00 0.00 +0.076 A ATOM 29 C LIG 1 4.874 0.114 1.578 0.00 0.00 +0.096 A ATOM 30 C LIG 1 5.128 -0.133 2.885 0.00 0.00 +0.075 A ATOM 31 S LIG 1 3.880 0.638 3.825 0.00 0.00 -0.101 S ATOM 32 N LIG 1 5.492 -0.221 0.416 0.00 0.00 -0.231 NA ATOM 33 C LIG 1 3.058 1.267 2.425 0.00 0.00 +0.073 A ATOM 34 C LIG 1 4.694 0.368 -0.506 0.00 0.00 +0.114 A BRANCH 34 35 ATOM 35 C LIG 1 5.034 0.285 -2.030 0.00 0.00 +0.055 C ATOM 36 C LIG 1 4.231 -0.637 -2.910 0.00 0.00 +0.012 C ATOM 37 C LIG 1 5.651 -0.980 -2.568 0.00 0.00 +0.012 C ENDBRANCH 34 35 ENDBRANCH 26 27 ENDBRANCH 14 26 TORSDOF 4