REMARK Name = BDB055175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.331 -1.839 -0.527 0.00 0.00 +0.090 C ATOM 2 C LIG 1 0.162 -0.884 -0.270 0.00 0.00 +0.034 C ATOM 3 C LIG 1 -1.101 -1.688 0.126 0.00 0.00 +0.072 C ATOM 4 C LIG 1 -1.104 -3.103 -0.532 0.00 0.00 +0.099 C ATOM 5 N LIG 1 -0.407 -3.177 -1.816 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 -0.888 -2.583 -2.493 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 0.997 -2.737 -1.731 0.00 0.00 +0.093 C ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 -2.292 -0.827 -0.043 0.00 0.00 -0.283 NA ATOM 9 C LIG 1 -3.370 -0.926 0.968 0.00 0.00 +0.033 C ATOM 10 C LIG 1 -4.194 -2.226 0.879 0.00 0.00 +0.029 C ATOM 11 C LIG 1 -2.831 -0.802 2.414 0.00 0.00 +0.029 C ATOM 12 C LIG 1 -4.294 0.305 0.758 0.00 0.00 +0.135 C ATOM 13 N LIG 1 -4.790 0.466 -0.605 0.00 0.00 -0.267 N ATOM 14 C LIG 1 -4.000 0.112 -1.693 0.00 0.00 +0.234 C ATOM 15 O LIG 1 -4.298 0.386 -2.861 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 -2.802 -0.806 -1.432 0.00 0.00 +0.181 C BRANCH 13 17 ATOM 17 C LIG 1 -5.838 1.419 -0.769 0.00 0.00 +0.055 A ATOM 18 C LIG 1 -5.646 2.707 -1.300 0.00 0.00 +0.062 A ATOM 19 CL LIG 1 -4.078 3.341 -1.671 0.00 0.00 -0.082 Cl ATOM 20 C LIG 1 -6.735 3.574 -1.444 0.00 0.00 +0.022 A ATOM 21 C LIG 1 -8.012 3.172 -1.053 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -8.206 1.907 -0.504 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -7.124 1.036 -0.357 0.00 0.00 +0.025 A ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 1 26 ATOM 24 N LIG 1 3.138 -0.492 0.395 0.00 0.00 -0.304 N ATOM 25 H LIG 1 2.472 -0.302 1.136 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 2.632 -1.077 -0.750 0.00 0.00 +0.218 C ATOM 27 O LIG 1 3.196 -1.003 -1.836 0.00 0.00 -0.275 OA BRANCH 24 28 ATOM 28 C LIG 1 4.221 0.488 0.305 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 3.539 1.881 0.326 0.00 0.00 +0.235 C ATOM 30 N LIG 1 4.227 2.969 -0.210 0.00 0.00 -0.306 N ATOM 31 C LIG 1 5.361 2.822 -1.109 0.00 0.00 +0.131 C ATOM 32 C LIG 1 3.517 4.236 -0.288 0.00 0.00 +0.131 C ATOM 33 O LIG 1 2.436 2.011 0.874 0.00 0.00 -0.274 OA ENDBRANCH 28 29 BRANCH 28 34 ATOM 34 C LIG 1 5.176 0.382 1.505 0.00 0.00 +0.034 C BRANCH 34 36 ATOM 35 C LIG 1 5.502 -2.165 1.549 0.00 0.00 +0.007 C ATOM 36 C LIG 1 6.175 -0.795 1.494 0.00 0.00 -0.015 C ATOM 37 C LIG 1 7.145 -0.726 0.314 0.00 0.00 +0.007 C ENDBRANCH 34 36 ENDBRANCH 28 34 ENDBRANCH 24 28 ENDBRANCH 1 26 TORSDOF 7