REMARK Name = BDB016885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.925 -0.552 0.429 0.00 0.00 +0.141 A ATOM 2 N LIG 1 2.135 0.552 0.747 0.00 0.00 -0.339 N ATOM 3 H LIG 1 2.471 1.471 0.998 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 0.853 0.146 0.619 0.00 0.00 +0.074 A ATOM 5 C LIG 1 -0.502 0.699 0.737 0.00 0.00 +0.161 C ATOM 6 N LIG 1 -1.307 -0.519 0.366 0.00 0.00 -0.252 N ATOM 7 C LIG 1 -0.459 -1.635 0.041 0.00 0.00 +0.272 C ATOM 8 O LIG 1 -0.765 -2.765 -0.302 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 0.885 -1.148 0.225 0.00 0.00 +0.149 A ATOM 10 N LIG 1 2.159 -1.597 0.113 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.703 -0.568 0.407 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -3.421 -1.625 -0.028 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.810 -1.604 0.031 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -5.541 -0.539 0.520 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -6.825 -0.812 0.442 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.956 -2.067 -0.104 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -4.829 0.602 1.004 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -5.538 1.807 1.568 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.750 -2.539 -0.348 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -5.422 -3.858 -0.933 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -3.475 0.567 0.945 0.00 0.00 +0.032 A ENDBRANCH 6 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.697 1.898 -0.174 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -0.688 3.193 0.376 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -0.846 4.315 -0.441 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.005 4.156 -1.815 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -1.195 5.540 -2.818 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -1.004 2.884 -2.381 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.847 1.760 -1.565 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 32 ATOM 29 C LIG 1 7.140 -0.734 0.419 0.00 0.00 +0.214 A ATOM 30 N LIG 1 6.435 -1.847 0.139 0.00 0.00 -0.221 NA ATOM 31 C LIG 1 5.083 -1.729 0.155 0.00 0.00 +0.126 A ATOM 32 C LIG 1 4.389 -0.552 0.440 0.00 0.00 +0.036 A ATOM 33 C LIG 1 5.162 0.577 0.724 0.00 0.00 +0.018 A ATOM 34 C LIG 1 6.556 0.487 0.713 0.00 0.00 +0.068 A BRANCH 29 36 ATOM 35 C LIG 1 9.044 -2.054 0.106 0.00 0.00 +0.279 C ATOM 36 O LIG 1 8.520 -0.768 0.423 0.00 0.00 -0.480 OA ENDBRANCH 29 36 ENDBRANCH 1 32 TORSDOF 4