REMARK Name = BDB039309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.431 -2.232 -0.295 0.00 0.00 +0.025 A ATOM 2 C LIG 1 0.240 -3.421 -1.086 0.00 0.00 +0.145 A ATOM 3 N LIG 1 1.377 -4.103 -1.507 0.00 0.00 -0.306 N ATOM 4 C LIG 1 0.948 -5.187 -2.230 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -0.424 -5.115 -2.223 0.00 0.00 +0.131 A ATOM 6 C LIG 1 2.678 -3.705 -1.219 0.00 0.00 +0.097 A ATOM 7 C LIG 1 2.881 -2.596 -0.486 0.00 0.00 -0.016 A ATOM 8 N LIG 1 -0.855 -4.021 -1.520 0.00 0.00 -0.235 NA ATOM 9 C LIG 1 1.705 -1.847 -0.036 0.00 0.00 +0.018 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 -4.644 1.056 0.181 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -3.971 0.973 1.397 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -4.292 1.442 2.471 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.758 0.181 1.166 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -2.791 -0.285 -0.143 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -1.762 -1.071 -0.632 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -0.680 -1.383 0.213 0.00 0.00 -0.014 A ATOM 17 C LIG 1 -0.684 -0.905 1.549 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -1.728 -0.112 2.035 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -4.049 0.156 -0.809 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 -5.663 4.754 -2.527 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -5.870 3.859 -1.712 0.00 0.00 +0.219 C ATOM 22 N LIG 1 -6.456 2.680 -2.096 0.00 0.00 -0.255 N ATOM 23 H LIG 1 -6.708 2.615 -3.073 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -6.534 1.510 -1.379 0.00 0.00 +0.240 C ATOM 25 O LIG 1 -6.872 0.467 -1.937 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 -6.021 1.550 0.070 0.00 0.00 +0.163 C ATOM 27 C LIG 1 -6.206 2.977 0.601 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -5.445 3.967 -0.268 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 4.244 -2.061 -0.130 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.469 -2.141 1.316 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 4.463 -3.126 1.578 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 5.750 -1.544 1.710 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 5.610 -0.140 2.326 0.00 0.00 +0.051 C BRANCH 33 34 ATOM 34 C LIG 1 5.178 0.939 1.358 0.00 0.00 -0.028 A ATOM 35 C LIG 1 3.909 1.543 1.392 0.00 0.00 +0.044 A ATOM 36 CL LIG 1 2.718 1.134 2.576 0.00 0.00 -0.083 Cl ATOM 37 C LIG 1 3.563 2.521 0.453 0.00 0.00 +0.020 A ATOM 38 C LIG 1 4.475 2.914 -0.525 0.00 0.00 +0.001 A ATOM 39 C LIG 1 5.739 2.334 -0.565 0.00 0.00 +0.000 A ATOM 40 C LIG 1 6.088 1.356 0.369 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 7