REMARK Name = BDB016851 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.647 -0.656 -0.335 0.00 0.00 -0.253 N ATOM 2 C LIG 1 0.608 0.417 -0.473 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -0.604 -0.364 -0.146 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.330 -1.647 0.180 0.00 0.00 +0.149 A ATOM 5 N LIG 1 -1.456 -2.324 0.474 0.00 0.00 -0.227 NA ATOM 6 C LIG 1 -2.455 -1.450 0.321 0.00 0.00 +0.114 A ATOM 7 N LIG 1 -1.960 -0.200 -0.078 0.00 0.00 -0.326 N ATOM 8 C LIG 1 1.087 -1.900 0.089 0.00 0.00 +0.272 C ATOM 9 O LIG 1 1.630 -2.970 0.312 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 5.150 2.302 -2.301 0.00 0.00 +0.046 C ATOM 11 C LIG 1 4.792 1.006 -1.635 0.00 0.00 -0.019 A ATOM 12 C LIG 1 5.737 0.014 -1.331 0.00 0.00 +0.116 A ATOM 13 N LIG 1 7.091 -0.029 -1.541 0.00 0.00 -0.129 NA ATOM 14 N LIG 1 7.545 -1.187 -1.082 0.00 0.00 -0.065 NA ATOM 15 N LIG 1 6.494 -1.862 -0.582 0.00 0.00 -0.247 N ATOM 16 C LIG 1 6.689 -3.171 -0.018 0.00 0.00 +0.175 C ATOM 17 C LIG 1 5.327 -1.159 -0.716 0.00 0.00 +0.091 A ATOM 18 C LIG 1 3.992 -1.421 -0.372 0.00 0.00 +0.053 A ATOM 19 C LIG 1 3.023 -0.447 -0.664 0.00 0.00 +0.040 A ATOM 20 C LIG 1 3.443 0.742 -1.292 0.00 0.00 +0.029 A ENDBRANCH 1 19 BRANCH 2 21 ATOM 21 C LIG 1 0.814 1.592 0.471 0.00 0.00 -0.021 A ATOM 22 C LIG 1 0.679 2.907 -0.010 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.849 4.000 0.844 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.152 3.791 2.187 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.355 5.138 3.236 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 1.288 2.498 2.684 0.00 0.00 +0.020 A ATOM 27 C LIG 1 1.118 1.404 1.831 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -3.873 -1.913 0.551 0.00 0.00 +0.059 C ATOM 29 C LIG 1 -4.607 -2.281 -0.743 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -6.119 -2.172 -0.573 0.00 0.00 +0.160 C ATOM 31 O LIG 1 -6.504 -2.630 0.718 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -6.043 -1.799 1.785 0.00 0.00 +0.160 C ATOM 33 C LIG 1 -4.731 -1.073 1.482 0.00 0.00 +0.039 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.607 1.070 -0.385 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -2.927 1.896 0.861 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -3.763 1.006 -1.378 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4