REMARK Name = BDB010974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.860 -1.624 -0.828 0.00 0.00 +0.057 A ATOM 2 N LIG 1 -3.681 -2.699 -0.022 0.00 0.00 -0.244 NA ATOM 3 C LIG 1 -2.471 -2.879 0.600 0.00 0.00 +0.170 A ATOM 4 C LIG 1 -1.405 -1.995 0.427 0.00 0.00 +0.108 A ATOM 5 C LIG 1 -1.617 -0.907 -0.411 0.00 0.00 +0.069 A ATOM 6 C LIG 1 -0.507 0.047 -0.624 0.00 0.00 +0.266 A ATOM 7 N LIG 1 0.679 -0.203 0.076 0.00 0.00 -0.267 N ATOM 8 C LIG 1 0.760 -1.323 0.880 0.00 0.00 +0.207 A ATOM 9 O LIG 1 -0.700 0.955 -1.431 0.00 0.00 -0.267 OA ATOM 10 N LIG 1 -0.180 -2.189 1.073 0.00 0.00 -0.235 NA ATOM 11 C LIG 1 -2.843 -0.711 -1.051 0.00 0.00 +0.040 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 1.813 0.679 -0.047 0.00 0.00 +0.051 A ATOM 13 C LIG 1 3.131 0.203 0.106 0.00 0.00 +0.031 A ATOM 14 C LIG 1 4.284 1.025 0.004 0.00 0.00 -0.032 A ATOM 15 C LIG 1 4.050 2.386 -0.257 0.00 0.00 +0.005 A ATOM 16 C LIG 1 2.760 2.889 -0.414 0.00 0.00 +0.002 A ATOM 17 C LIG 1 1.656 2.043 -0.313 0.00 0.00 +0.026 A BRANCH 14 18 ATOM 18 C LIG 1 5.759 0.388 0.166 0.00 0.00 +0.056 C ATOM 19 C LIG 1 7.009 1.320 0.339 0.00 0.00 +0.022 C ATOM 20 C LIG 1 6.805 1.222 1.870 0.00 0.00 -0.012 C ATOM 21 C LIG 1 8.059 1.191 2.719 0.00 0.00 +0.007 C ATOM 22 C LIG 1 6.111 -0.137 1.610 0.00 0.00 +0.022 C BRANCH 18 23 ATOM 23 C LIG 1 5.985 -0.705 -0.953 0.00 0.00 +0.144 A ATOM 24 N LIG 1 6.109 -0.503 -2.300 0.00 0.00 -0.320 N ATOM 25 C LIG 1 6.071 0.744 -3.012 0.00 0.00 +0.151 C ATOM 26 C LIG 1 6.248 -1.738 -2.853 0.00 0.00 +0.224 A ATOM 27 N LIG 1 6.205 -2.649 -1.909 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 6.030 -1.999 -0.711 0.00 0.00 -0.134 NA ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 7 12 BRANCH 3 29 ATOM 29 C LIG 1 -2.293 -4.083 1.510 0.00 0.00 +0.436 C ATOM 30 F LIG 1 -2.005 -3.748 2.803 0.00 0.00 -0.164 F ATOM 31 F LIG 1 -3.406 -4.874 1.591 0.00 0.00 -0.164 F ATOM 32 F LIG 1 -1.295 -4.925 1.105 0.00 0.00 -0.164 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -5.222 -1.445 -1.480 0.00 0.00 +0.139 C BRANCH 33 37 ATOM 34 C LIG 1 -6.960 2.713 0.623 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.893 1.187 0.688 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -6.002 0.650 -0.453 0.00 0.00 +0.088 C ATOM 37 N LIG 1 -6.221 -0.785 -0.621 0.00 0.00 -0.296 NA ATOM 38 C LIG 1 -7.582 -1.069 -1.107 0.00 0.00 +0.085 C ATOM 39 C LIG 1 -8.632 -0.036 -0.677 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -8.300 0.564 0.682 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 6