REMARK Name = BDB024956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.154 -1.696 1.483 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.340 -0.551 1.439 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.865 0.657 2.112 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.038 1.271 1.331 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.829 1.766 2.357 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.484 1.172 2.716 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.051 0.319 1.558 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.725 0.321 1.081 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.353 1.033 1.534 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.374 0.710 0.762 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.986 -0.221 -0.189 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.362 -0.481 0.008 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.280 -1.321 -0.629 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.595 -1.324 -0.143 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.994 -0.536 0.945 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.309 -1.692 1.904 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.803 -0.897 -1.198 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.719 -1.964 -0.573 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.570 -2.705 -1.617 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.151 -1.790 -2.705 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.985 -0.306 -2.394 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.518 0.052 -2.178 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.777 -3.822 -2.262 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.565 -3.887 -2.374 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.569 -4.791 -2.758 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.948 -5.442 -3.150 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.342 -4.020 1.188 0.00 0.00 +0.282 C ATOM 28 O LIG 1 4.537 -2.846 1.085 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.750 1.281 0.954 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -2.961 2.659 0.350 0.00 0.00 -0.037 A ATOM 31 C LIG 1 -1.985 3.666 0.449 0.00 0.00 +0.045 A ATOM 32 C LIG 1 -2.220 4.928 -0.090 0.00 0.00 +0.159 A ATOM 33 F LIG 1 -1.272 5.871 0.003 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -3.426 5.212 -0.716 0.00 0.00 +0.158 A ATOM 35 F LIG 1 -3.651 6.427 -1.234 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -4.415 4.240 -0.804 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -4.187 2.970 -0.267 0.00 0.00 +0.007 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6