REMARK Name = BDB005157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.722 -1.113 -1.654 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.655 -0.230 -1.428 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.617 -0.470 -1.974 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.815 -1.620 -2.748 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.238 -2.502 -2.975 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.501 -2.249 -2.432 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.159 -1.477 -1.156 0.00 0.00 +0.254 C ATOM 8 N LIG 1 2.962 -0.782 -1.064 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.967 0.080 -0.531 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 4.323 -2.511 -1.792 0.00 0.00 -0.270 OA BRANCH 7 15 ATOM 11 C LIG 1 7.557 0.171 0.955 0.00 0.00 +0.126 A ATOM 12 C LIG 1 7.595 -1.116 0.421 0.00 0.00 +0.085 A ATOM 13 C LIG 1 6.491 -1.640 -0.255 0.00 0.00 +0.142 A ATOM 14 F LIG 1 6.601 -2.890 -0.726 0.00 0.00 -0.204 F ATOM 15 C LIG 1 5.320 -0.896 -0.416 0.00 0.00 +0.107 A ATOM 16 C LIG 1 5.299 0.390 0.129 0.00 0.00 +0.142 A ATOM 17 F LIG 1 4.207 1.165 0.023 0.00 0.00 -0.204 F ATOM 18 C LIG 1 6.399 0.926 0.808 0.00 0.00 +0.085 A BRANCH 11 20 ATOM 19 C LIG 1 8.721 1.875 2.140 0.00 0.00 +0.277 C ATOM 20 O LIG 1 8.700 0.563 1.591 0.00 0.00 -0.495 OA ENDBRANCH 11 20 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -1.764 0.479 -1.713 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -2.701 -0.162 -0.799 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.222 -0.514 0.025 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.797 0.632 -0.403 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.758 0.096 0.480 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -5.820 0.945 0.849 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -6.783 0.432 1.745 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -6.695 -0.883 2.242 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -5.657 -1.715 1.857 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.895 2.199 0.349 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -4.944 2.593 -0.506 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.697 -1.229 0.981 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -3.899 1.872 -0.905 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -7.956 1.226 2.231 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -8.771 0.752 3.016 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -8.109 2.503 1.783 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -7.452 2.906 1.121 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -8.906 3.040 2.093 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7