REMARK Name = BDB009281 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.494 -0.442 -3.020 0.00 0.00 +0.037 A ATOM 2 C LIG 1 0.687 -0.917 -2.440 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.931 -0.442 -2.877 0.00 0.00 -0.041 A ATOM 4 C LIG 1 1.974 0.410 -3.990 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.793 0.824 -4.616 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.445 0.406 -4.126 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -2.599 -1.380 -3.229 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.805 -0.840 -2.462 0.00 0.00 +0.247 C ATOM 9 N LIG 1 -2.068 -0.597 -1.110 0.00 0.00 -0.289 N BRANCH 9 10 ATOM 10 C LIG 1 -1.182 0.170 -0.222 0.00 0.00 +0.143 C BRANCH 10 11 ATOM 11 C LIG 1 -1.890 1.165 0.667 0.00 0.00 -0.030 A ATOM 12 C LIG 1 -1.697 1.139 2.055 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -2.326 2.078 2.874 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -3.147 3.055 2.313 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.338 3.096 0.934 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -2.711 2.158 0.112 0.00 0.00 +0.005 A ENDBRANCH 10 11 ENDBRANCH 9 10 BRANCH 9 17 ATOM 17 C LIG 1 -3.170 -1.343 -0.499 0.00 0.00 +0.143 C BRANCH 17 18 ATOM 18 C LIG 1 -2.674 -2.518 0.313 0.00 0.00 -0.030 A ATOM 19 C LIG 1 -2.134 -3.644 -0.324 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -1.647 -4.716 0.424 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.693 -4.673 1.816 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -2.229 -3.561 2.461 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.720 -2.489 1.715 0.00 0.00 +0.005 A ENDBRANCH 17 18 ENDBRANCH 9 17 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 3.197 -0.824 -2.141 0.00 0.00 +0.092 C BRANCH 24 25 ATOM 25 C LIG 1 3.026 -0.740 -0.622 0.00 0.00 +0.069 A ATOM 26 C LIG 1 2.890 0.598 0.038 0.00 0.00 -0.016 A ATOM 27 C LIG 1 3.127 1.867 -0.731 0.00 0.00 +0.037 C ATOM 28 C LIG 1 3.232 3.108 0.161 0.00 0.00 +0.005 C ATOM 29 C LIG 1 2.160 3.094 1.245 0.00 0.00 +0.005 C ATOM 30 C LIG 1 2.297 1.853 2.128 0.00 0.00 +0.041 C ATOM 31 C LIG 1 2.536 0.597 1.334 0.00 0.00 +0.023 A ATOM 32 C LIG 1 2.356 -0.688 2.055 0.00 0.00 +0.268 A ATOM 33 O LIG 1 1.974 -0.726 3.219 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 2.654 -1.819 1.344 0.00 0.00 -0.243 N ATOM 35 H LIG 1 2.512 -2.709 1.810 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 2.934 -1.869 0.014 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7