REMARK Name = BDB060929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.004 -0.618 -0.490 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -0.827 0.293 0.167 0.00 0.00 +0.126 A ATOM 3 N LIG 1 -2.087 -0.304 0.141 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.958 -1.502 -0.550 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -3.126 -2.298 -0.728 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -4.321 -1.903 -0.231 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -4.407 -0.630 0.498 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -3.309 0.126 0.665 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.722 -1.710 -0.933 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.499 -2.696 -0.405 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.299 -3.205 0.593 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -6.280 -3.165 2.067 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.322 -3.902 0.028 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.205 -3.869 -1.349 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -6.109 -3.143 -1.606 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.695 -2.901 -3.008 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -0.633 1.502 0.780 0.00 0.00 -0.326 N ATOM 18 H LIG 1 -1.447 2.028 1.088 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 0.503 2.379 0.491 0.00 0.00 +0.072 C ATOM 20 C LIG 1 0.285 3.078 -0.864 0.00 0.00 +0.022 C ATOM 21 C LIG 1 0.981 4.432 -0.920 0.00 0.00 +0.002 C ATOM 22 C LIG 1 0.435 5.393 0.136 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -0.076 4.689 1.395 0.00 0.00 +0.002 C ATOM 24 C LIG 1 0.666 3.382 1.653 0.00 0.00 +0.022 C ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 25 ATOM 25 C LIG 1 1.465 -0.608 -0.746 0.00 0.00 +0.063 C BRANCH 25 26 ATOM 26 C LIG 1 2.263 -1.023 0.492 0.00 0.00 +0.041 C BRANCH 26 31 ATOM 27 C LIG 1 6.527 -0.702 -0.226 0.00 0.00 +0.138 A ATOM 28 C LIG 1 5.821 0.345 0.389 0.00 0.00 +0.083 A ATOM 29 CL LIG 1 6.612 1.806 0.873 0.00 0.00 -0.080 Cl ATOM 30 C LIG 1 4.447 0.239 0.629 0.00 0.00 +0.027 A ATOM 31 C LIG 1 3.750 -0.917 0.259 0.00 0.00 -0.045 A ATOM 32 C LIG 1 4.451 -1.958 -0.359 0.00 0.00 +0.007 A ATOM 33 C LIG 1 5.826 -1.853 -0.597 0.00 0.00 +0.047 A BRANCH 27 35 ATOM 34 C LIG 1 8.604 -1.567 -1.028 0.00 0.00 +0.277 C ATOM 35 O LIG 1 7.870 -0.511 -0.422 0.00 0.00 -0.494 OA ENDBRANCH 27 35 ENDBRANCH 26 31 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 7