REMARK Name = BDB041081 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.614 -1.548 2.717 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.539 -1.254 2.086 0.00 0.00 -0.208 NA ATOM 3 C LIG 1 -1.153 -2.246 1.415 0.00 0.00 +0.174 A ATOM 4 N LIG 1 -2.387 -1.971 0.775 0.00 0.00 -0.250 N ATOM 5 C LIG 1 -3.052 -2.980 0.098 0.00 0.00 +0.259 C ATOM 6 C LIG 1 -2.241 -4.252 -0.137 0.00 0.00 +0.325 C ATOM 7 O LIG 1 -1.208 -4.600 0.763 0.00 0.00 -0.478 OA ATOM 8 O LIG 1 -4.189 -2.864 -0.363 0.00 0.00 -0.271 OA ATOM 9 C LIG 1 -0.640 -3.530 1.375 0.00 0.00 +0.179 A ATOM 10 C LIG 1 0.530 -3.732 2.073 0.00 0.00 +0.162 A ATOM 11 N LIG 1 1.176 -2.765 2.750 0.00 0.00 -0.232 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 2.528 0.056 3.269 0.00 0.00 -0.034 A ATOM 13 C LIG 1 1.236 -0.477 3.504 0.00 0.00 +0.023 A ATOM 14 C LIG 1 0.478 0.050 4.578 0.00 0.00 +0.012 A ATOM 15 C LIG 1 0.973 1.048 5.415 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.246 1.550 5.199 0.00 0.00 +0.000 A ATOM 17 C LIG 1 3.011 1.060 4.142 0.00 0.00 +0.004 A BRANCH 12 19 ATOM 18 C LIG 1 4.290 -1.590 2.479 0.00 0.00 +0.012 C ATOM 19 C LIG 1 3.468 -0.347 2.133 0.00 0.00 +0.014 C ATOM 20 C LIG 1 2.821 -0.457 0.751 0.00 0.00 +0.012 C ENDBRANCH 12 19 ENDBRANCH 1 13 BRANCH 4 21 ATOM 21 C LIG 1 -3.025 -0.665 0.952 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 C LIG 1 -2.771 0.383 -0.159 0.00 0.00 +0.010 C ATOM 23 C LIG 1 -3.138 -0.111 -1.570 0.00 0.00 +0.024 C ATOM 24 C LIG 1 -2.538 0.800 -2.638 0.00 0.00 +0.108 C ATOM 25 N LIG 1 -1.061 0.769 -2.587 0.00 0.00 -0.301 N ATOM 26 C LIG 1 -0.486 0.460 -1.258 0.00 0.00 +0.108 C ATOM 27 C LIG 1 -1.362 1.004 -0.136 0.00 0.00 +0.024 C BRANCH 25 28 ATOM 28 C LIG 1 -0.444 1.786 -3.256 0.00 0.00 +0.198 A ATOM 29 N LIG 1 -0.417 1.855 -4.630 0.00 0.00 -0.321 N ATOM 30 C LIG 1 -0.923 0.876 -5.559 0.00 0.00 +0.151 C ATOM 31 C LIG 1 0.259 2.992 -4.985 0.00 0.00 +0.120 A ATOM 32 C LIG 1 0.664 3.573 -3.797 0.00 0.00 +0.163 A ATOM 33 N LIG 1 0.225 2.792 -2.737 0.00 0.00 -0.210 NA BRANCH 32 34 ATOM 34 C LIG 1 1.455 4.829 -3.589 0.00 0.00 +0.436 C ATOM 35 F LIG 1 2.605 4.612 -2.897 0.00 0.00 -0.164 F ATOM 36 F LIG 1 0.755 5.777 -2.912 0.00 0.00 -0.164 F ATOM 37 F LIG 1 1.822 5.397 -4.772 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 6