REMARK Name = BDB065268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.022 -0.437 -0.292 0.00 0.00 -0.323 N ATOM 2 C LIG 1 0.355 -0.559 -0.247 0.00 0.00 +0.069 A ATOM 3 C LIG 1 0.822 0.565 -0.922 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.200 0.765 -1.090 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.091 -0.175 -0.558 0.00 0.00 -0.012 A ATOM 6 C LIG 1 2.605 -1.297 0.122 0.00 0.00 +0.011 A ATOM 7 N LIG 1 -0.214 1.350 -1.339 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 1.231 -1.512 0.291 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.318 0.770 -0.909 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 4.517 0.012 -0.726 0.00 0.00 +0.025 A ATOM 11 C LIG 1 5.413 0.233 0.306 0.00 0.00 +0.044 A ATOM 12 C LIG 1 5.223 0.352 1.774 0.00 0.00 +0.066 C ATOM 13 N LIG 1 6.639 0.352 -0.300 0.00 0.00 -0.271 N ATOM 14 C LIG 1 7.913 0.586 0.339 0.00 0.00 +0.172 C ATOM 15 N LIG 1 6.594 0.249 -1.640 0.00 0.00 -0.176 NA ATOM 16 C LIG 1 5.300 0.045 -1.911 0.00 0.00 +0.068 A ATOM 17 C LIG 1 4.848 -0.120 -3.314 0.00 0.00 +0.068 C ENDBRANCH 5 10 BRANCH 9 18 ATOM 18 C LIG 1 -2.705 1.332 -1.092 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -2.740 2.791 -1.113 0.00 0.00 -0.258 N ATOM 20 C LIG 1 -3.588 3.247 -2.144 0.00 0.00 +0.255 C ATOM 21 O LIG 1 -3.901 4.396 -2.423 0.00 0.00 -0.272 OA ATOM 22 C LIG 1 -4.190 2.029 -2.812 0.00 0.00 +0.254 C ATOM 23 F LIG 1 -4.308 2.122 -4.162 0.00 0.00 -0.236 F ATOM 24 C LIG 1 -3.227 0.924 -2.463 0.00 0.00 +0.077 C BRANCH 19 25 ATOM 25 C LIG 1 -2.190 3.626 -0.094 0.00 0.00 +0.040 A ATOM 26 C LIG 1 -1.790 3.097 1.143 0.00 0.00 +0.064 A ATOM 27 C LIG 1 -1.252 3.921 2.131 0.00 0.00 +0.160 A ATOM 28 F LIG 1 -0.891 3.382 3.304 0.00 0.00 -0.202 F ATOM 29 C LIG 1 -1.101 5.281 1.913 0.00 0.00 +0.159 A ATOM 30 F LIG 1 -0.588 6.069 2.868 0.00 0.00 -0.202 F ATOM 31 C LIG 1 -1.488 5.833 0.702 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -2.029 5.008 -0.293 0.00 0.00 +0.026 A ENDBRANCH 19 25 ENDBRANCH 9 18 BRANCH 1 36 ATOM 33 C LIG 1 -2.935 -3.869 1.566 0.00 0.00 +0.118 C ATOM 34 C LIG 1 -3.047 -2.492 2.230 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -1.975 -1.524 1.741 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -1.995 -1.406 0.211 0.00 0.00 +0.089 C ATOM 37 C LIG 1 -1.889 -2.778 -0.474 0.00 0.00 +0.027 C ATOM 38 C LIG 1 -2.961 -3.738 0.039 0.00 0.00 +0.033 C BRANCH 33 40 ATOM 39 C LIG 1 -3.873 -6.041 1.873 0.00 0.00 +0.194 C ATOM 40 O LIG 1 -4.048 -4.638 2.024 0.00 0.00 -0.380 OA ENDBRANCH 33 40 ENDBRANCH 1 36 TORSDOF 5