REMARK Name = BDB009755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.536 2.590 -1.211 0.00 0.00 +0.021 C ATOM 2 C LIG 1 0.577 2.453 0.324 0.00 0.00 +0.055 C ATOM 3 C LIG 1 -0.623 1.592 0.749 0.00 0.00 +0.223 C ATOM 4 O LIG 1 -1.658 2.126 1.151 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 -0.526 0.214 0.574 0.00 0.00 -0.285 N ATOM 6 C LIG 1 0.733 -0.406 0.104 0.00 0.00 +0.114 C ATOM 7 C LIG 1 2.002 0.294 0.673 0.00 0.00 +0.045 C ATOM 8 C LIG 1 1.879 1.819 0.835 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 0.817 -1.901 0.450 0.00 0.00 -0.026 A ATOM 10 C LIG 1 1.049 -2.842 -0.567 0.00 0.00 +0.007 A ATOM 11 C LIG 1 1.138 -4.203 -0.269 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.993 -4.635 1.048 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 1.103 -6.312 1.415 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.758 -3.718 2.070 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.671 -2.356 1.773 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 3.270 -0.088 -0.090 0.00 0.00 -0.041 A ATOM 17 C LIG 1 3.469 0.284 -1.429 0.00 0.00 +0.024 A ATOM 18 C LIG 1 4.630 -0.097 -2.104 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 4.849 0.365 -3.747 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 5.608 -0.851 -1.462 0.00 0.00 +0.020 A ATOM 21 C LIG 1 5.424 -1.228 -0.134 0.00 0.00 +0.002 A ATOM 22 C LIG 1 4.264 -0.850 0.547 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 -1.804 -0.515 0.303 0.00 0.00 +0.126 C BRANCH 23 24 ATOM 24 C LIG 1 -2.375 -0.131 -1.064 0.00 0.00 +0.062 A ATOM 25 N LIG 1 -1.861 -0.803 -2.132 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 -2.310 -0.473 -3.363 0.00 0.00 +0.111 A ATOM 27 C LIG 1 -3.244 0.517 -3.600 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -3.748 1.213 -2.510 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -3.308 0.892 -1.228 0.00 0.00 +0.025 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 -2.790 -0.492 1.501 0.00 0.00 +0.032 C BRANCH 30 31 ATOM 31 C LIG 1 -3.779 -1.631 1.458 0.00 0.00 -0.009 C ATOM 32 C LIG 1 -5.151 -1.449 0.863 0.00 0.00 +0.004 C ATOM 33 C LIG 1 -4.992 -1.596 2.351 0.00 0.00 +0.004 C ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 5 23 BRANCH 2 34 ATOM 34 C LIG 1 0.385 3.860 0.966 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 1.507 4.843 0.751 0.00 0.00 +0.306 C ATOM 36 O LIG 1 2.394 4.798 -0.081 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 1.432 5.881 1.607 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 2.187 6.455 1.357 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9