REMARK Name = BDB004814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.546 -1.131 1.640 0.00 0.00 +0.123 A ATOM 2 C LIG 1 0.362 -0.753 1.016 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -0.020 -1.273 -0.246 0.00 0.00 +0.044 A ATOM 4 C LIG 1 0.816 -2.183 -0.912 0.00 0.00 +0.088 A ATOM 5 N LIG 1 0.478 -2.648 -2.136 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 -0.661 -2.211 -2.682 0.00 0.00 +0.223 A ATOM 7 N LIG 1 -1.526 -1.369 -2.123 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 1.999 -2.579 -0.254 0.00 0.00 +0.066 A ATOM 9 C LIG 1 -1.222 -0.921 -0.896 0.00 0.00 +0.130 A ATOM 10 C LIG 1 2.354 -2.058 1.007 0.00 0.00 +0.060 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.960 -3.575 -0.829 0.00 0.00 +0.244 C ATOM 12 O LIG 1 3.947 -3.949 -0.204 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 2.712 -4.079 -2.070 0.00 0.00 -0.325 N ATOM 14 H LIG 1 3.350 -4.758 -2.461 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 1.887 -3.799 -2.592 0.00 0.00 +0.145 HD ENDBRANCH 8 11 BRANCH 9 16 ATOM 16 N LIG 1 -2.128 -0.054 -0.253 0.00 0.00 -0.320 N ATOM 17 H LIG 1 -2.317 -0.433 0.674 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -3.397 0.228 -0.951 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 -4.440 0.525 0.128 0.00 0.00 -0.023 A ATOM 20 C LIG 1 -5.317 -0.497 0.529 0.00 0.00 +0.043 A ATOM 21 C LIG 1 -6.251 -0.267 1.532 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -7.069 -1.256 1.908 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -6.339 0.968 2.159 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -5.465 1.987 1.789 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -4.516 1.764 0.787 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 26 ATOM 26 C LIG 1 -3.196 1.381 -1.992 0.00 0.00 +0.110 C BRANCH 26 27 ATOM 27 N LIG 1 -4.417 1.868 -2.680 0.00 0.00 -0.306 NA ATOM 28 C LIG 1 -4.106 3.062 -3.473 0.00 0.00 +0.104 C ATOM 29 C LIG 1 -4.999 0.837 -3.539 0.00 0.00 +0.104 C ENDBRANCH 26 27 ENDBRANCH 18 26 ENDBRANCH 16 18 ENDBRANCH 9 16 BRANCH 1 30 ATOM 30 O LIG 1 1.785 -0.517 2.834 0.00 0.00 -0.487 OA BRANCH 30 31 ATOM 31 C LIG 1 3.028 -0.760 3.502 0.00 0.00 +0.264 C BRANCH 31 35 ATOM 32 C LIG 1 6.394 1.273 1.685 0.00 0.00 +0.120 A ATOM 33 C LIG 1 6.531 -0.020 2.194 0.00 0.00 +0.046 A ATOM 34 C LIG 1 5.447 -0.677 2.782 0.00 0.00 +0.010 A ATOM 35 C LIG 1 4.199 -0.048 2.863 0.00 0.00 -0.010 A ATOM 36 C LIG 1 4.072 1.260 2.376 0.00 0.00 +0.010 A ATOM 37 C LIG 1 5.161 1.914 1.787 0.00 0.00 +0.046 A BRANCH 32 39 ATOM 38 C LIG 1 7.419 3.081 0.528 0.00 0.00 +0.277 C ATOM 39 O LIG 1 7.529 1.794 1.126 0.00 0.00 -0.495 OA ENDBRANCH 32 39 ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 10