REMARK Name = BDB035509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.954 -0.930 0.140 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -2.617 -0.481 0.075 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.559 -1.190 0.675 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.873 -2.374 1.350 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.189 -2.837 1.424 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -4.221 -2.121 0.826 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.222 -0.710 0.589 0.00 0.00 -0.263 N ATOM 8 C LIG 1 0.916 -1.302 1.148 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.057 -2.308 1.818 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.060 -0.455 0.787 0.00 0.00 +0.044 A ATOM 11 C LIG 1 1.596 0.613 0.033 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.483 1.561 -0.435 0.00 0.00 +0.047 A ATOM 13 C LIG 1 3.842 1.419 -0.132 0.00 0.00 +0.025 A ATOM 14 C LIG 1 4.310 0.329 0.641 0.00 0.00 -0.031 A ATOM 15 CL LIG 1 1.944 2.894 -1.373 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 3.397 -0.628 1.105 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.121 0.509 -0.134 0.00 0.00 +0.151 C BRANCH 14 18 ATOM 18 C LIG 1 5.786 0.195 0.940 0.00 0.00 +0.117 C BRANCH 18 19 ATOM 19 N LIG 1 6.516 -0.146 -0.280 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 6.178 -1.044 -0.624 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.974 -0.093 -0.097 0.00 0.00 +0.017 C ATOM 22 C LIG 1 8.605 -0.147 -1.521 0.00 0.00 +0.022 C ATOM 23 C LIG 1 9.514 1.023 -1.091 0.00 0.00 +0.004 C ATOM 24 C LIG 1 8.444 1.388 -0.041 0.00 0.00 +0.022 C ATOM 25 C LIG 1 8.534 -1.087 0.904 0.00 0.00 +0.027 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 -5.071 -0.107 -0.505 0.00 0.00 +0.117 C BRANCH 26 29 ATOM 27 C LIG 1 -6.763 1.213 -2.763 0.00 0.00 +0.151 C ATOM 28 N LIG 1 -6.560 -0.199 -2.580 0.00 0.00 -0.320 N ATOM 29 C LIG 1 -5.824 -0.828 -1.603 0.00 0.00 +0.145 A ATOM 30 N LIG 1 -5.931 -2.131 -1.791 0.00 0.00 -0.134 NA ATOM 31 N LIG 1 -6.727 -2.352 -2.888 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -7.097 -1.183 -3.350 0.00 0.00 +0.224 A ENDBRANCH 26 29 BRANCH 26 33 ATOM 33 C LIG 1 -5.990 0.531 0.541 0.00 0.00 -0.033 A ATOM 34 C LIG 1 -5.657 1.782 1.090 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -6.476 2.382 2.048 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.635 1.739 2.477 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.973 0.493 1.954 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.155 -0.110 0.997 0.00 0.00 +0.004 A ENDBRANCH 26 33 ENDBRANCH 1 26 TORSDOF 7