REMARK Name = BDB005435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.906 -0.073 0.872 0.00 0.00 +0.146 A ATOM 2 N LIG 1 -0.969 -0.684 0.033 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.242 -0.385 0.575 0.00 0.00 +0.077 A ATOM 4 C LIG 1 1.674 -0.599 0.301 0.00 0.00 +0.161 C ATOM 5 N LIG 1 2.261 0.075 1.506 0.00 0.00 -0.253 N ATOM 6 C LIG 1 1.261 0.653 2.347 0.00 0.00 +0.272 C ATOM 7 O LIG 1 1.376 1.272 3.392 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.012 0.323 1.706 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.311 0.508 1.914 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.662 0.060 1.790 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.213 0.823 2.830 0.00 0.00 +0.043 A ATOM 12 C LIG 1 5.587 0.801 3.092 0.00 0.00 +0.043 A ATOM 13 CL LIG 1 6.230 1.757 4.372 0.00 0.00 -0.083 Cl ATOM 14 C LIG 1 6.444 0.019 2.328 0.00 0.00 +0.020 A ATOM 15 C LIG 1 5.922 -0.747 1.293 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.546 -0.726 1.030 0.00 0.00 +0.023 A ENDBRANCH 5 10 BRANCH 4 17 ATOM 17 C LIG 1 2.099 0.017 -1.024 0.00 0.00 -0.021 A ATOM 18 C LIG 1 2.437 -0.818 -2.104 0.00 0.00 +0.007 A ATOM 19 C LIG 1 2.807 -0.274 -3.337 0.00 0.00 +0.020 A ATOM 20 C LIG 1 2.840 1.108 -3.503 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 3.293 1.775 -5.023 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 2.506 1.952 -2.448 0.00 0.00 +0.020 A ATOM 23 C LIG 1 2.135 1.409 -1.215 0.00 0.00 +0.007 A ENDBRANCH 4 17 BRANCH 1 25 ATOM 24 C LIG 1 -3.978 0.833 -0.200 0.00 0.00 +0.131 A ATOM 25 C LIG 1 -3.353 -0.059 0.683 0.00 0.00 +0.060 A ATOM 26 C LIG 1 -4.150 -0.914 1.459 0.00 0.00 +0.034 A ATOM 27 C LIG 1 -5.542 -0.919 1.308 0.00 0.00 +0.053 A ATOM 28 C LIG 1 -6.146 -0.060 0.383 0.00 0.00 +0.022 A ATOM 29 C LIG 1 -5.364 0.815 -0.372 0.00 0.00 +0.047 A BRANCH 24 31 ATOM 30 C LIG 1 -3.083 2.946 -0.273 0.00 0.00 +0.277 C ATOM 31 O LIG 1 -3.247 1.705 -0.965 0.00 0.00 -0.494 OA ENDBRANCH 24 31 BRANCH 27 32 ATOM 32 C LIG 1 -6.346 -1.812 2.091 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -6.998 -2.542 2.713 0.00 0.00 -0.191 NA ENDBRANCH 27 32 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 -1.173 -1.514 -1.148 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -1.510 -0.705 -2.398 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -2.152 -2.670 -0.939 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 6