REMARK Name = BDB019955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.484 -0.825 -0.390 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.275 -1.397 0.015 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.916 -0.674 -0.103 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.900 0.637 -0.600 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -0.309 1.228 -0.998 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.496 0.483 -0.892 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -4.368 -2.734 0.569 0.00 0.00 -0.268 N ATOM 8 N LIG 1 -4.685 -2.648 -0.737 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 -3.678 -1.934 -1.284 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -2.716 -1.578 -0.293 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -3.190 -2.121 0.881 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -3.613 -1.607 -2.751 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -3.789 -0.277 -2.988 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -2.402 -1.930 -3.289 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -4.545 -2.259 -3.499 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -5.374 -4.916 1.139 0.00 0.00 +0.032 C ATOM 17 C LIG 1 -5.250 -3.436 1.497 0.00 0.00 +0.101 C ATOM 18 C LIG 1 -6.620 -2.765 1.581 0.00 0.00 +0.032 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 19 ATOM 19 C LIG 1 2.177 -1.314 0.347 0.00 0.00 +0.245 C ATOM 20 N LIG 1 3.292 -1.042 -0.412 0.00 0.00 -0.304 N ATOM 21 H LIG 1 3.220 -0.448 -1.222 0.00 0.00 +0.150 HD ATOM 22 O LIG 1 2.175 -2.042 1.331 0.00 0.00 -0.270 OA BRANCH 20 23 ATOM 23 C LIG 1 4.611 -1.485 -0.015 0.00 0.00 +0.107 C BRANCH 23 24 ATOM 24 C LIG 1 5.356 -0.312 0.606 0.00 0.00 -0.024 A ATOM 25 C LIG 1 5.332 -0.152 2.004 0.00 0.00 +0.046 A ATOM 26 C LIG 1 5.969 0.933 2.599 0.00 0.00 +0.159 A ATOM 27 F LIG 1 5.933 1.068 3.932 0.00 0.00 -0.202 F ATOM 28 C LIG 1 6.628 1.875 1.820 0.00 0.00 +0.158 A ATOM 29 F LIG 1 7.237 2.921 2.393 0.00 0.00 -0.202 F ATOM 30 C LIG 1 6.654 1.746 0.436 0.00 0.00 +0.041 A ATOM 31 C LIG 1 6.014 0.661 -0.171 0.00 0.00 +0.008 A ENDBRANCH 23 24 BRANCH 23 32 ATOM 32 C LIG 1 5.386 -2.099 -1.160 0.00 0.00 +0.014 C ATOM 33 C LIG 1 4.728 -3.096 -2.088 0.00 0.00 +0.006 C ATOM 34 C LIG 1 5.184 -1.768 -2.624 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 20 23 ENDBRANCH 3 19 BRANCH 5 35 ATOM 35 C LIG 1 -0.341 2.655 -1.501 0.00 0.00 +0.143 C BRANCH 35 36 ATOM 36 N LIG 1 -0.944 3.553 -0.542 0.00 0.00 -0.298 N ATOM 37 C LIG 1 -2.279 3.867 -0.447 0.00 0.00 +0.178 C ATOM 38 N LIG 1 -3.200 3.691 -1.319 0.00 0.00 -0.272 NA ATOM 39 H LIG 1 -2.810 3.268 -2.158 0.00 0.00 +0.189 HD ATOM 40 N LIG 1 -2.475 4.452 0.781 0.00 0.00 -0.305 N ATOM 41 C LIG 1 -3.641 5.254 1.072 0.00 0.00 +0.132 C ATOM 42 C LIG 1 -1.214 4.780 1.430 0.00 0.00 +0.126 C ATOM 43 C LIG 1 -0.229 3.861 0.697 0.00 0.00 +0.127 C ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9