REMARK Name = BDB061130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.092 -0.599 -0.689 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.552 -1.863 -0.234 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.661 -2.943 -0.249 0.00 0.00 +0.026 A ATOM 4 C LIG 1 0.651 -2.780 -0.704 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.089 -1.533 -1.148 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.219 -0.441 -1.141 0.00 0.00 +0.042 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -2.880 -1.962 0.235 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -2.993 -1.917 1.711 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -3.048 -3.319 2.357 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -4.037 -4.249 1.771 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -5.407 -3.858 2.100 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.829 -4.318 0.310 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.743 -2.961 -0.429 0.00 0.00 +0.120 C ENDBRANCH 2 7 BRANCH 1 15 ATOM 14 C LIG 1 -1.887 1.758 -1.031 0.00 0.00 +0.250 C ATOM 15 N LIG 1 -2.043 0.444 -0.658 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -2.941 0.125 -0.302 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -0.879 2.281 -1.490 0.00 0.00 -0.270 OA BRANCH 14 22 ATOM 18 C LIG 1 -5.917 3.665 1.452 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -5.049 3.501 0.235 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -3.905 2.681 0.230 0.00 0.00 +0.059 A ATOM 21 CL LIG 1 -3.463 1.846 1.686 0.00 0.00 -0.082 Cl ATOM 22 C LIG 1 -3.113 2.589 -0.928 0.00 0.00 +0.057 A ATOM 23 C LIG 1 -3.448 3.332 -2.073 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -4.599 4.115 -2.103 0.00 0.00 +0.061 A ATOM 25 C LIG 1 -5.361 4.216 -0.930 0.00 0.00 +0.148 A ATOM 26 F LIG 1 -6.437 5.021 -0.938 0.00 0.00 -0.203 F BRANCH 24 27 ATOM 27 N LIG 1 -4.858 4.945 -3.202 0.00 0.00 -0.356 N ATOM 28 H LIG 1 -5.818 5.282 -3.237 0.00 0.00 +0.142 HD ATOM 29 H LIG 1 -4.521 4.601 -4.095 0.00 0.00 +0.142 HD ENDBRANCH 24 27 ENDBRANCH 14 22 ENDBRANCH 1 15 BRANCH 5 30 ATOM 30 C LIG 1 2.434 -1.368 -1.605 0.00 0.00 -0.065 C ATOM 31 C LIG 1 3.564 -1.210 -1.983 0.00 0.00 -0.078 C BRANCH 31 32 ATOM 32 C LIG 1 4.938 -0.989 -2.437 0.00 0.00 +0.194 C BRANCH 32 33 ATOM 33 N LIG 1 5.486 0.165 -1.766 0.00 0.00 -0.303 N ATOM 34 H LIG 1 4.991 1.040 -1.881 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 6.322 0.034 -0.670 0.00 0.00 +0.231 C ATOM 36 O LIG 1 6.776 -1.044 -0.303 0.00 0.00 -0.274 OA BRANCH 35 37 ATOM 37 C LIG 1 6.657 1.399 -0.011 0.00 0.00 +0.140 C BRANCH 37 38 ATOM 38 C LIG 1 7.348 1.327 1.371 0.00 0.00 +0.009 C ATOM 39 C LIG 1 8.748 0.703 1.369 0.00 0.00 +0.009 C ATOM 40 C LIG 1 6.460 0.627 2.405 0.00 0.00 +0.009 C ENDBRANCH 37 38 BRANCH 37 41 ATOM 41 N LIG 1 7.455 2.201 -0.970 0.00 0.00 -0.320 NA ATOM 42 H LIG 1 8.343 1.722 -1.127 0.00 0.00 +0.119 HD ATOM 43 H LIG 1 6.990 2.193 -1.877 0.00 0.00 +0.119 HD ENDBRANCH 37 41 ENDBRANCH 35 37 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 5 30 TORSDOF 10