REMARK Name = BDB040900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.440 0.607 3.122 0.00 0.00 +0.068 C ATOM 2 C LIG 1 -1.049 -0.072 1.952 0.00 0.00 +0.066 A ATOM 3 C LIG 1 -0.636 -0.035 0.604 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.511 0.639 -0.051 0.00 0.00 +0.083 C ATOM 5 C LIG 1 1.022 -0.237 -1.218 0.00 0.00 +0.174 C ATOM 6 C LIG 1 -0.116 -0.907 -2.058 0.00 0.00 +0.242 C ATOM 7 N LIG 1 -1.252 -1.376 -1.363 0.00 0.00 -0.257 N ATOM 8 C LIG 1 -2.042 -2.393 -2.039 0.00 0.00 +0.140 C ATOM 9 O LIG 1 0.033 -1.145 -3.261 0.00 0.00 -0.273 OA ATOM 10 C LIG 1 -1.471 -0.907 -0.062 0.00 0.00 +0.135 A ATOM 11 N LIG 1 -2.505 -1.172 0.838 0.00 0.00 -0.218 N ATOM 12 N LIG 1 -2.103 -0.879 2.108 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 13 ATOM 13 C LIG 1 0.036 2.047 -0.388 0.00 0.00 -0.037 A ATOM 14 C LIG 1 0.744 3.143 0.146 0.00 0.00 +0.007 A ATOM 15 C LIG 1 0.360 4.455 -0.138 0.00 0.00 +0.038 A ATOM 16 C LIG 1 -0.734 4.685 -0.960 0.00 0.00 +0.123 A ATOM 17 F LIG 1 -1.103 5.943 -1.233 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -1.449 3.628 -1.505 0.00 0.00 +0.038 A ATOM 19 C LIG 1 -1.066 2.314 -1.223 0.00 0.00 +0.007 A ENDBRANCH 4 13 BRANCH 11 20 ATOM 20 C LIG 1 -3.859 -1.544 0.619 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -4.520 -1.198 -0.565 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -5.860 -1.549 -0.746 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -6.549 -2.225 0.261 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.906 -2.537 1.458 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -4.568 -2.187 1.645 0.00 0.00 +0.028 A ENDBRANCH 11 20 BRANCH 5 26 ATOM 26 N LIG 1 2.129 0.413 -1.980 0.00 0.00 -0.288 N ATOM 27 C LIG 1 3.477 0.369 -1.623 0.00 0.00 +0.247 C ATOM 28 O LIG 1 4.374 0.949 -2.228 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 1.803 1.139 -3.201 0.00 0.00 +0.133 C BRANCH 27 30 ATOM 30 C LIG 1 3.875 -0.402 -0.432 0.00 0.00 +0.037 A ATOM 31 C LIG 1 4.139 0.278 0.760 0.00 0.00 +0.025 A ATOM 32 C LIG 1 4.506 -0.441 1.908 0.00 0.00 +0.056 A ATOM 33 C LIG 1 4.634 -1.837 1.823 0.00 0.00 +0.012 A ATOM 34 C LIG 1 4.399 -2.506 0.617 0.00 0.00 +0.001 A ATOM 35 C LIG 1 4.024 -1.788 -0.516 0.00 0.00 +0.013 A BRANCH 32 36 ATOM 36 C LIG 1 4.769 0.293 3.200 0.00 0.00 +0.417 C ATOM 37 F LIG 1 4.893 -0.529 4.278 0.00 0.00 -0.166 F ATOM 38 F LIG 1 3.762 1.160 3.508 0.00 0.00 -0.166 F ATOM 39 F LIG 1 5.906 1.038 3.159 0.00 0.00 -0.166 F ENDBRANCH 32 36 ENDBRANCH 27 30 ENDBRANCH 5 26 TORSDOF 5