REMARK Name = BDB005255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.938 -0.834 0.746 0.00 0.00 +0.146 A ATOM 2 N LIG 1 1.150 -0.704 -0.401 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.134 -0.752 0.043 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.505 -0.684 -0.492 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.271 -0.804 0.787 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.431 -1.040 1.912 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.727 -1.309 3.064 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.091 -0.952 1.383 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.183 -1.024 1.829 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.695 -0.838 0.819 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.457 -0.263 1.860 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.880 0.549 2.990 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.862 -0.392 1.842 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.517 -1.025 0.789 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.771 -1.537 -0.260 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.564 -2.307 -1.579 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.378 -1.444 -0.251 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.798 0.599 -1.247 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -1.692 1.858 -0.629 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -1.956 3.029 -1.344 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.330 2.953 -2.683 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -2.652 4.393 -3.565 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -2.442 1.716 -3.313 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.178 0.544 -2.599 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 4.104 0.421 0.792 0.00 0.00 +0.132 A ATOM 26 C LIG 1 3.396 -0.789 0.797 0.00 0.00 +0.059 A ATOM 27 C LIG 1 4.112 -1.988 0.926 0.00 0.00 +0.016 A ATOM 28 C LIG 1 5.509 -1.978 0.985 0.00 0.00 +0.020 A ATOM 29 C LIG 1 6.206 -0.767 0.925 0.00 0.00 +0.055 A ATOM 30 C LIG 1 5.501 0.436 0.826 0.00 0.00 +0.065 A BRANCH 25 32 ATOM 31 C LIG 1 3.149 2.128 1.995 0.00 0.00 +0.277 C ATOM 32 O LIG 1 3.452 1.624 0.691 0.00 0.00 -0.494 OA ENDBRANCH 25 32 BRANCH 29 33 ATOM 33 C LIG 1 7.639 -0.757 0.970 0.00 0.00 +0.099 C ATOM 34 N LIG 1 8.799 -0.750 1.002 0.00 0.00 -0.191 NA ENDBRANCH 29 33 ENDBRANCH 1 26 BRANCH 2 35 ATOM 35 C LIG 1 1.542 -0.592 -1.801 0.00 0.00 +0.083 C ATOM 36 C LIG 1 2.507 -1.683 -2.266 0.00 0.00 +0.030 C ATOM 37 C LIG 1 2.040 0.802 -2.175 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6