REMARK Name = BDB025886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.305 1.753 0.292 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.797 0.433 0.344 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.566 0.200 0.559 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.465 1.267 0.744 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.935 2.567 0.695 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.738 3.628 0.870 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.420 2.815 0.473 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.475 4.059 -2.080 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.434 2.569 -1.702 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.343 2.201 -0.599 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.754 2.442 -0.864 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.919 2.756 0.701 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.384 2.901 0.885 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.681 1.930 0.032 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.961 2.110 -1.421 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.895 1.022 0.981 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.374 0.019 1.799 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.683 -0.230 2.033 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.591 0.550 1.427 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.230 1.552 0.609 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.909 1.764 0.410 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.946 0.328 1.669 0.00 0.00 -0.297 N ATOM 23 C LIG 1 7.853 0.817 0.619 0.00 0.00 +0.123 C ATOM 24 C LIG 1 7.882 -0.159 -0.585 0.00 0.00 +0.103 C ATOM 25 N LIG 1 8.231 -1.544 -0.184 0.00 0.00 -0.302 NA ATOM 26 C LIG 1 8.172 -2.443 -1.334 0.00 0.00 +0.105 C ATOM 27 C LIG 1 7.314 -2.007 0.887 0.00 0.00 +0.103 C ATOM 28 C LIG 1 7.282 -1.040 2.098 0.00 0.00 +0.123 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.759 -0.587 0.190 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.699 -0.208 0.071 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.570 -1.945 0.171 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.517 -2.557 0.269 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.846 -2.690 -0.028 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.123 -3.441 -1.241 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.297 -4.088 -1.354 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.306 -4.059 -0.261 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -6.362 -4.664 -0.413 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.955 -3.323 0.868 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -5.884 -3.249 1.985 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.744 -2.659 0.970 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -2.104 -3.435 -2.341 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -0.993 -4.140 -2.027 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.594 -3.987 -3.485 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.718 -2.176 -2.671 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6