REMARK Name = BDB005260 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.713 -0.345 -0.859 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.942 0.003 0.262 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.337 -0.329 -0.064 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.692 -0.372 0.528 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.442 -0.986 -0.614 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.609 -1.310 -1.715 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.876 -1.895 -2.751 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.300 -0.848 -1.320 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.948 -0.822 -1.837 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.825 -1.312 -0.522 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.728 -1.157 -1.598 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.373 -0.529 -2.921 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.071 -1.557 -1.438 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.539 -2.050 -0.223 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.664 -2.150 0.847 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.228 -2.743 2.362 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.325 -1.786 0.705 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.261 0.983 0.906 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.349 2.033 -0.028 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.892 3.268 0.335 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.358 3.465 1.632 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -4.024 4.986 2.080 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -3.289 2.437 2.568 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.746 1.201 2.207 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 28 ATOM 25 C LIG 1 5.844 0.153 -1.313 0.00 0.00 +0.218 A ATOM 26 N LIG 1 5.430 -0.674 -0.347 0.00 0.00 -0.179 NA ATOM 27 C LIG 1 4.097 -0.840 -0.212 0.00 0.00 +0.230 A ATOM 28 C LIG 1 3.156 -0.189 -0.987 0.00 0.00 +0.097 A ATOM 29 C LIG 1 3.694 0.607 -1.971 0.00 0.00 +0.131 A ATOM 30 N LIG 1 5.019 0.803 -2.143 0.00 0.00 -0.222 NA BRANCH 25 32 ATOM 31 C LIG 1 7.695 0.536 -2.763 0.00 0.00 +0.128 C ATOM 32 N LIG 1 7.218 0.314 -1.415 0.00 0.00 -0.316 N ATOM 33 H LIG 1 7.633 -0.476 -0.934 0.00 0.00 +0.149 HD ENDBRANCH 25 32 BRANCH 27 34 ATOM 34 O LIG 1 3.633 -1.693 0.776 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.667 -2.427 1.425 0.00 0.00 +0.279 C ENDBRANCH 27 34 ENDBRANCH 1 28 BRANCH 2 36 ATOM 36 C LIG 1 1.435 0.610 1.494 0.00 0.00 +0.083 C ATOM 37 C LIG 1 0.989 -0.139 2.749 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.116 2.102 1.574 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6