REMARK Name = BDB010996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.352 0.797 -2.021 0.00 0.00 -0.267 N ATOM 2 C LIG 1 -0.463 0.231 -1.099 0.00 0.00 +0.266 A ATOM 3 O LIG 1 -0.702 -0.015 0.084 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 0.910 -0.039 -1.587 0.00 0.00 +0.066 A ATOM 5 C LIG 1 1.240 0.336 -2.890 0.00 0.00 +0.089 A ATOM 6 C LIG 1 2.541 0.102 -3.360 0.00 0.00 +0.081 A ATOM 7 C LIG 1 3.484 -0.505 -2.509 0.00 0.00 +0.019 A ATOM 8 C LIG 1 3.153 -0.879 -1.198 0.00 0.00 -0.032 A ATOM 9 N LIG 1 0.297 0.931 -3.732 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 1.853 -0.641 -0.743 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.900 1.119 -3.283 0.00 0.00 +0.207 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.714 0.549 -0.271 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -3.392 0.295 -0.703 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -2.714 1.085 -1.650 0.00 0.00 +0.051 A ATOM 15 C LIG 1 -3.410 2.164 -2.210 0.00 0.00 +0.026 A ATOM 16 C LIG 1 -4.718 2.448 -1.818 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -5.350 1.658 -0.860 0.00 0.00 +0.005 A BRANCH 12 21 ATOM 18 C LIG 1 -6.009 -2.589 -1.258 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -6.274 -2.258 0.202 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -5.056 -1.841 1.051 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.452 -0.336 0.857 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -6.888 -0.873 0.494 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -5.433 0.463 2.227 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.344 0.781 2.994 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -2.961 0.474 2.752 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -4.827 1.483 4.056 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -6.130 1.595 3.954 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.512 0.959 2.797 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 2.928 0.498 -4.762 0.00 0.00 +0.419 C ATOM 30 F LIG 1 2.193 -0.128 -5.723 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.227 0.193 -5.058 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.817 1.835 -4.997 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 4.186 -1.526 -0.298 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.352 -0.665 -0.049 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.459 -1.416 0.570 0.00 0.00 +0.088 C ATOM 36 C LIG 1 6.598 -1.183 2.081 0.00 0.00 +0.000 C ATOM 37 C LIG 1 7.704 -2.051 2.677 0.00 0.00 +0.009 C ATOM 38 C LIG 1 6.853 0.303 2.374 0.00 0.00 +0.006 C ATOM 39 C LIG 1 6.191 1.220 1.347 0.00 0.00 +0.016 C ATOM 40 C LIG 1 4.983 0.552 0.695 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6