REMARK Name = BDB056184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.905 1.296 -0.109 0.00 0.00 -0.326 N ATOM 2 C LIG 1 0.906 0.794 0.861 0.00 0.00 +0.120 C ATOM 3 C LIG 1 -0.387 1.652 0.837 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.782 2.176 -0.494 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 0.345 2.968 -1.061 0.00 0.00 +0.103 C ATOM 6 C LIG 1 1.751 2.720 -0.447 0.00 0.00 +0.120 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.826 -0.217 0.362 0.00 0.00 +0.038 A ATOM 8 C LIG 1 5.372 0.750 1.263 0.00 0.00 +0.035 A ATOM 9 C LIG 1 4.082 1.282 1.146 0.00 0.00 +0.063 A ATOM 10 CL LIG 1 3.623 2.459 2.330 0.00 0.00 -0.082 Cl ATOM 11 C LIG 1 3.213 0.849 0.122 0.00 0.00 +0.048 A ATOM 12 C LIG 1 3.686 -0.142 -0.758 0.00 0.00 +0.025 A ATOM 13 C LIG 1 4.973 -0.674 -0.644 0.00 0.00 +0.015 A BRANCH 7 17 ATOM 14 C LIG 1 9.203 -1.649 -0.563 0.00 0.00 +0.128 C ATOM 15 N LIG 1 7.826 -1.221 -0.607 0.00 0.00 -0.314 N ATOM 16 H LIG 1 7.443 -0.972 -1.508 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 7.205 -0.753 0.533 0.00 0.00 +0.244 C ATOM 18 O LIG 1 7.738 -0.731 1.635 0.00 0.00 -0.270 OA ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 -1.145 1.088 -1.424 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 C LIG 1 -2.379 0.317 -0.997 0.00 0.00 -0.031 A ATOM 21 C LIG 1 -3.593 0.984 -0.782 0.00 0.00 +0.032 A ATOM 22 C LIG 1 -4.726 0.270 -0.398 0.00 0.00 +0.076 A ATOM 23 N LIG 1 -5.914 0.958 -0.144 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -5.936 1.968 -0.125 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -7.070 0.297 0.175 0.00 0.00 +0.258 C ATOM 26 C LIG 1 -6.999 -1.226 -0.021 0.00 0.00 +0.256 C ATOM 27 O LIG 1 -5.739 -1.851 0.216 0.00 0.00 -0.478 OA ATOM 28 C LIG 1 -8.027 -1.924 0.862 0.00 0.00 +0.062 C ATOM 29 O LIG 1 -8.084 0.910 0.496 0.00 0.00 -0.271 OA ATOM 30 C LIG 1 -4.665 -1.118 -0.222 0.00 0.00 +0.146 A ATOM 31 C LIG 1 -3.458 -1.801 -0.425 0.00 0.00 -0.007 A ATOM 32 C LIG 1 -3.370 -3.286 -0.214 0.00 0.00 +0.047 C ATOM 33 C LIG 1 -2.323 -1.075 -0.819 0.00 0.00 +0.012 A ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 4