REMARK Name = BDB026958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.336 1.196 1.535 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 -0.241 0.663 0.423 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.444 0.231 -0.306 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.812 0.452 0.077 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -3.625 -0.131 -0.895 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -5.026 -0.101 -0.835 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -5.644 0.542 0.254 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.839 1.132 1.238 0.00 0.00 +0.009 A ATOM 9 N LIG 1 -2.795 -0.693 -1.833 0.00 0.00 -0.360 N ATOM 10 H LIG 1 -3.113 -1.193 -2.652 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 -3.439 1.096 1.163 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -1.484 -0.481 -1.494 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 -7.112 0.592 0.356 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -7.891 1.132 -0.673 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -9.270 1.156 -0.531 0.00 0.00 +0.111 A ATOM 16 N LIG 1 -9.922 0.680 0.549 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 -9.159 0.163 1.534 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -7.775 0.099 1.485 0.00 0.00 +0.028 A ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 1.159 0.398 -0.210 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 1.641 -1.011 0.112 0.00 0.00 -0.023 A ATOM 21 C LIG 1 2.124 -1.838 -0.915 0.00 0.00 +0.005 A ATOM 22 C LIG 1 2.584 -3.127 -0.636 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.569 -3.604 0.672 0.00 0.00 +0.000 A ATOM 24 C LIG 1 2.098 -2.794 1.703 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.638 -1.505 1.427 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 2.095 1.455 0.245 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.119 1.461 1.265 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.431 1.393 -0.344 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.494 0.851 0.623 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.840 0.713 -0.049 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.226 -0.516 -0.606 0.00 0.00 +0.006 A ATOM 32 C LIG 1 7.460 -0.642 -1.244 0.00 0.00 +0.038 A ATOM 33 C LIG 1 8.304 0.459 -1.328 0.00 0.00 +0.123 A ATOM 34 F LIG 1 9.488 0.337 -1.942 0.00 0.00 -0.205 F ATOM 35 C LIG 1 7.937 1.685 -0.786 0.00 0.00 +0.038 A ATOM 36 C LIG 1 6.704 1.814 -0.147 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 2 19 TORSDOF 8