REMARK Name = BDB038439 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.278 1.146 -0.505 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.354 0.113 -0.700 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.481 -0.993 -1.191 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.940 0.597 -0.200 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.150 -0.069 -0.142 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.246 0.605 0.413 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.088 1.937 0.870 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.852 2.606 0.791 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.779 1.902 0.251 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.637 2.331 0.045 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.704 -0.169 -1.349 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -3.320 -0.110 -1.091 0.00 0.00 +0.032 A ATOM 13 C LIG 1 -2.672 1.095 -0.778 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -3.451 2.260 -0.725 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.819 2.229 -1.005 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.439 1.024 -1.322 0.00 0.00 +0.008 A BRANCH 11 18 ATOM 17 C LIG 1 -5.427 -2.531 -0.735 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -5.369 -1.452 -1.650 0.00 0.00 -0.007 A ATOM 19 C LIG 1 -5.957 -1.622 -2.920 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.577 -2.820 -3.282 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.613 -3.880 -2.386 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.037 -3.738 -1.125 0.00 0.00 +0.012 A BRANCH 17 25 ATOM 23 C LIG 1 -6.366 -0.695 1.639 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -5.288 -1.646 1.637 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -4.876 -2.474 0.620 0.00 0.00 +0.164 A ATOM 26 N LIG 1 -3.945 -3.277 1.106 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -3.714 -2.940 2.420 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -4.523 -1.956 2.720 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.683 4.018 1.281 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.840 4.603 1.691 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.166 4.837 0.323 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.824 4.097 2.335 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 4.596 -0.074 0.499 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.420 0.299 -0.645 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.615 1.297 -0.602 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 6.677 -0.454 -0.732 0.00 0.00 +0.115 C BRANCH 36 37 ATOM 37 C LIG 1 7.747 -0.219 0.374 0.00 0.00 +0.073 C ATOM 38 C LIG 1 8.053 1.265 0.582 0.00 0.00 +0.042 C ATOM 39 C LIG 1 9.036 -0.963 0.007 0.00 0.00 +0.042 C BRANCH 37 40 ATOM 40 O LIG 1 7.295 -0.748 1.627 0.00 0.00 -0.388 OA ATOM 41 H LIG 1 7.140 -1.701 1.506 0.00 0.00 +0.210 HD ENDBRANCH 37 40 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9