REMARK Name = BDB035781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.351 0.226 -0.824 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.148 0.755 -1.308 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.071 1.646 -2.107 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.939 0.015 -0.653 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.305 0.172 -0.801 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.156 -0.664 -0.059 0.00 0.00 -0.029 A ATOM 7 C LIG 1 -2.586 -1.636 0.802 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -1.192 -1.779 0.946 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.382 -0.931 0.196 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.107 -0.843 0.135 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.110 0.409 -0.949 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.795 0.038 -0.601 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.664 0.628 -1.200 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.882 1.613 -2.168 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.175 1.996 -2.531 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.278 1.399 -1.929 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 6.366 -0.186 -0.313 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 5.286 1.857 1.915 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.644 1.646 1.494 0.00 0.00 -0.320 N ATOM 20 C LIG 1 7.135 0.784 0.544 0.00 0.00 +0.141 A ATOM 21 N LIG 1 8.449 0.915 0.510 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 8.817 1.867 1.426 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 7.725 2.300 2.005 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.118 -1.475 0.464 0.00 0.00 +0.055 C ATOM 25 C LIG 1 5.724 -2.720 -0.352 0.00 0.00 +0.166 C ATOM 26 O LIG 1 6.703 -3.522 0.354 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 7.366 -2.312 0.807 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -0.592 -2.807 1.866 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -1.509 -3.523 2.568 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.238 -2.245 2.789 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.168 -3.715 1.194 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.675 -0.561 -0.182 0.00 0.00 +0.087 C BRANCH 32 33 ATOM 33 C LIG 1 -5.101 -1.341 -1.440 0.00 0.00 +0.010 C ATOM 34 C LIG 1 -6.609 -1.381 -1.825 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -6.155 -1.488 -3.296 0.00 0.00 +0.001 C ATOM 36 C LIG 1 -4.847 -0.785 -2.874 0.00 0.00 +0.005 C ENDBRANCH 32 33 BRANCH 32 37 ATOM 37 N LIG 1 -5.111 0.844 -0.195 0.00 0.00 -0.304 NA ATOM 38 H LIG 1 -5.674 1.040 -1.020 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 -5.744 1.280 1.058 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -5.686 2.838 1.068 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -5.230 2.743 2.539 0.00 0.00 +0.004 C ATOM 42 C LIG 1 -4.708 1.327 2.217 0.00 0.00 +0.022 C ATOM 43 C LIG 1 -7.121 0.690 1.307 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 6 32 TORSDOF 9