REMARK Name = BDB034707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.075 -4.107 1.858 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -1.498 -2.925 1.164 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.666 -1.860 0.801 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -1.450 -0.891 0.180 0.00 0.00 +0.072 A ATOM 5 C LIG 1 -0.911 0.295 -0.281 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.475 0.506 -0.133 0.00 0.00 +0.034 A ATOM 7 C LIG 1 1.244 -0.481 0.528 0.00 0.00 +0.025 A ATOM 8 N LIG 1 -2.772 -1.360 0.153 0.00 0.00 -0.292 N ATOM 9 C LIG 1 0.684 -1.681 0.991 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -2.823 -2.624 0.786 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -3.817 -3.308 0.972 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 1.005 1.744 -0.564 0.00 0.00 -0.298 N ATOM 13 H LIG 1 0.373 2.242 -1.184 0.00 0.00 +0.154 HD BRANCH 12 14 ATOM 14 C LIG 1 2.343 2.151 -0.800 0.00 0.00 +0.147 A ATOM 15 C LIG 1 2.591 3.476 -1.149 0.00 0.00 +0.099 A ATOM 16 CL LIG 1 1.340 4.636 -1.378 0.00 0.00 -0.078 Cl ATOM 17 C LIG 1 3.910 3.834 -1.330 0.00 0.00 +0.138 A ATOM 18 N LIG 1 4.945 2.983 -1.181 0.00 0.00 -0.217 NA ATOM 19 C LIG 1 4.625 1.718 -0.829 0.00 0.00 +0.253 A ATOM 20 N LIG 1 3.360 1.284 -0.637 0.00 0.00 -0.194 NA BRANCH 19 21 ATOM 21 N LIG 1 5.700 0.781 -0.640 0.00 0.00 -0.205 N ATOM 22 N LIG 1 5.488 -0.514 -0.268 0.00 0.00 -0.160 NA ATOM 23 C LIG 1 6.715 -1.067 -0.190 0.00 0.00 +0.166 A ATOM 24 C LIG 1 7.719 -0.119 -0.514 0.00 0.00 +0.054 A ATOM 25 C LIG 1 7.046 1.044 -0.793 0.00 0.00 +0.118 A BRANCH 23 26 ATOM 26 C LIG 1 6.932 -2.509 0.192 0.00 0.00 +0.436 C ATOM 27 F LIG 1 8.257 -2.801 0.319 0.00 0.00 -0.164 F ATOM 28 F LIG 1 6.439 -3.371 -0.737 0.00 0.00 -0.164 F ATOM 29 F LIG 1 6.355 -2.828 1.380 0.00 0.00 -0.164 F ENDBRANCH 23 26 ENDBRANCH 19 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 8 30 ATOM 30 C LIG 1 -3.923 -0.634 -0.323 0.00 0.00 +0.130 C BRANCH 30 31 ATOM 31 C LIG 1 -4.504 0.277 0.760 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 -5.704 1.134 0.318 0.00 0.00 +0.062 C ATOM 33 C LIG 1 -5.332 2.137 -0.775 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -6.894 0.282 -0.126 0.00 0.00 +0.041 C BRANCH 32 35 ATOM 35 O LIG 1 -6.145 1.887 1.456 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -5.394 2.410 1.788 0.00 0.00 +0.210 HD ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 8