REMARK Name = BDB003465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.278 -3.120 -0.570 0.00 0.00 -0.256 N ATOM 2 C LIG 1 2.189 -2.158 -0.927 0.00 0.00 +0.108 A ATOM 3 C LIG 1 2.554 -2.454 -2.236 0.00 0.00 +0.041 A ATOM 4 C LIG 1 3.443 -1.609 -2.901 0.00 0.00 +0.123 A ATOM 5 N LIG 1 3.945 -0.511 -2.273 0.00 0.00 -0.251 NA ATOM 6 C LIG 1 3.585 -0.243 -0.987 0.00 0.00 +0.115 A ATOM 7 C LIG 1 1.854 -3.640 -2.538 0.00 0.00 +0.144 A ATOM 8 C LIG 1 2.711 -1.055 -0.263 0.00 0.00 +0.175 A ATOM 9 F LIG 1 2.402 -0.794 1.014 0.00 0.00 -0.201 F ATOM 10 N LIG 1 1.104 -4.071 -1.521 0.00 0.00 -0.178 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 4.165 0.964 -0.397 0.00 0.00 +0.086 A ATOM 12 C LIG 1 5.541 1.137 -0.221 0.00 0.00 +0.060 A ATOM 13 N LIG 1 6.040 2.259 0.364 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 5.176 3.202 0.750 0.00 0.00 +0.225 A ATOM 15 N LIG 1 3.849 3.141 0.629 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 3.374 2.012 0.069 0.00 0.00 +0.232 A BRANCH 12 17 ATOM 17 C LIG 1 6.549 0.070 -0.624 0.00 0.00 +0.039 C ATOM 18 C LIG 1 7.998 0.424 -0.882 0.00 0.00 +0.010 C ATOM 19 C LIG 1 7.105 0.067 -2.030 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 2.010 1.921 -0.123 0.00 0.00 -0.416 OA BRANCH 20 21 ATOM 21 C LIG 1 1.292 2.684 0.827 0.00 0.00 +0.542 C ATOM 22 F LIG 1 1.429 2.104 2.048 0.00 0.00 -0.166 F ATOM 23 F LIG 1 -0.026 2.567 0.511 0.00 0.00 -0.166 F ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 6 11 BRANCH 1 24 ATOM 24 C LIG 1 0.503 -3.187 0.663 0.00 0.00 +0.179 C BRANCH 24 28 ATOM 25 C LIG 1 -3.115 -0.831 0.256 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -1.980 -0.292 0.874 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -0.823 -1.059 1.035 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -0.765 -2.374 0.554 0.00 0.00 -0.026 A ATOM 29 C LIG 1 -1.891 -2.903 -0.092 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -3.051 -2.138 -0.241 0.00 0.00 +0.012 A BRANCH 25 32 ATOM 31 N LIG 1 -5.028 0.664 1.020 0.00 0.00 -0.327 N ATOM 32 C LIG 1 -4.336 -0.046 0.055 0.00 0.00 +0.142 A ATOM 33 N LIG 1 -4.966 0.046 -1.104 0.00 0.00 -0.224 NA ATOM 34 C LIG 1 -6.051 0.886 -0.919 0.00 0.00 +0.162 A ATOM 35 C LIG 1 -6.088 1.282 0.403 0.00 0.00 +0.120 A BRANCH 34 36 ATOM 36 C LIG 1 -6.985 1.252 -2.034 0.00 0.00 +0.436 C ATOM 37 F LIG 1 -6.375 1.981 -3.005 0.00 0.00 -0.164 F ATOM 38 F LIG 1 -8.030 2.006 -1.590 0.00 0.00 -0.164 F ATOM 39 F LIG 1 -7.531 0.162 -2.636 0.00 0.00 -0.164 F ENDBRANCH 34 36 BRANCH 31 41 ATOM 40 C LIG 1 -5.934 0.244 3.290 0.00 0.00 +0.030 C ATOM 41 C LIG 1 -4.749 0.733 2.453 0.00 0.00 +0.083 C ATOM 42 C LIG 1 -4.325 2.143 2.867 0.00 0.00 +0.030 C ENDBRANCH 31 41 ENDBRANCH 25 32 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 9