REMARK Name = BDB000320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.703 -0.367 0.407 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.955 -0.740 -0.716 0.00 0.00 +0.010 A ATOM 3 C LIG 1 0.428 -0.519 -0.764 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.110 0.050 0.316 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.348 0.454 1.421 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -1.033 0.238 1.476 0.00 0.00 +0.010 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.096 0.332 0.051 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -3.150 -0.605 0.463 0.00 0.00 +0.043 A ATOM 9 C LIG 1 -3.684 -1.806 0.941 0.00 0.00 +0.129 A ATOM 10 N LIG 1 -5.001 -2.047 1.009 0.00 0.00 -0.199 NA ATOM 11 C LIG 1 -5.819 -1.080 0.605 0.00 0.00 +0.214 A ATOM 12 N LIG 1 -5.427 0.092 0.107 0.00 0.00 -0.219 NA BRANCH 9 13 ATOM 13 N LIG 1 -2.847 -2.844 1.396 0.00 0.00 -0.343 N ATOM 14 H LIG 1 -2.285 -2.498 2.169 0.00 0.00 +0.144 HD ATOM 15 H LIG 1 -2.204 -3.104 0.655 0.00 0.00 +0.144 HD ENDBRANCH 9 13 BRANCH 11 16 ATOM 16 N LIG 1 -7.176 -1.327 0.656 0.00 0.00 -0.327 N ATOM 17 H LIG 1 -7.649 -0.773 -0.042 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 -7.331 -2.326 0.647 0.00 0.00 +0.145 HD ENDBRANCH 11 16 BRANCH 7 20 ATOM 19 C LIG 1 -3.648 1.648 -2.038 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -3.721 1.679 -0.519 0.00 0.00 +0.053 C ENDBRANCH 7 20 ENDBRANCH 1 8 BRANCH 4 21 ATOM 21 N LIG 1 2.471 0.361 0.299 0.00 0.00 -0.340 N ATOM 22 H LIG 1 2.863 0.419 1.236 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 3.360 -0.307 -0.640 0.00 0.00 +0.137 C BRANCH 23 24 ATOM 24 C LIG 1 4.781 0.131 -0.369 0.00 0.00 -0.029 A ATOM 25 C LIG 1 5.187 1.440 -0.679 0.00 0.00 +0.026 A ATOM 26 C LIG 1 6.496 1.862 -0.422 0.00 0.00 +0.060 A ATOM 27 CL LIG 1 6.912 3.487 -0.837 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 7.412 0.976 0.153 0.00 0.00 +0.059 A ATOM 29 CL LIG 1 9.044 1.424 0.500 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 7.013 -0.325 0.471 0.00 0.00 +0.022 A ATOM 31 C LIG 1 5.705 -0.746 0.215 0.00 0.00 +0.007 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 7