REMARK Name = BDB038944 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 7.013 -0.875 1.118 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.783 -1.495 0.986 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.572 -0.715 0.740 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.287 -1.499 0.823 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.273 -2.887 1.094 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.063 -3.587 1.189 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.833 -2.952 0.994 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.859 -1.584 0.707 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.124 -0.653 0.458 0.00 0.00 -0.326 N ATOM 10 C LIG 1 0.482 0.571 0.246 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.792 0.455 0.335 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.575 -3.608 1.340 0.00 0.00 +0.054 C ATOM 13 C LIG 1 2.045 -0.862 0.623 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.740 -2.909 0.647 0.00 0.00 +0.116 C ATOM 15 O LIG 1 8.084 -1.471 1.135 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.246 1.853 -0.049 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.225 2.786 1.176 0.00 0.00 +0.011 C ATOM 18 C LIG 1 -0.367 4.268 0.815 0.00 0.00 +0.001 C ATOM 19 C LIG 1 -1.151 4.471 -0.474 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -0.472 3.792 -1.666 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.339 2.551 -1.283 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 8.152 1.156 1.371 0.00 0.00 +0.282 C ATOM 23 O LIG 1 6.905 0.478 1.226 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.559 -0.917 0.425 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 -2.078 -1.094 -1.014 0.00 0.00 +0.151 C BRANCH 25 26 ATOM 26 C LIG 1 -3.427 -0.409 -1.221 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -4.570 -0.761 -0.476 0.00 0.00 +0.125 A ATOM 28 C LIG 1 -5.782 -0.095 -0.700 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.875 0.927 -1.657 0.00 0.00 -0.012 A ATOM 30 C LIG 1 -7.176 1.622 -1.920 0.00 0.00 +0.047 C ATOM 31 C LIG 1 -4.743 1.251 -2.402 0.00 0.00 +0.127 A ATOM 32 F LIG 1 -4.809 2.208 -3.339 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -3.532 0.601 -2.192 0.00 0.00 +0.046 A BRANCH 27 34 ATOM 34 O LIG 1 -4.390 -1.755 0.447 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -5.543 -2.259 1.110 0.00 0.00 +0.277 C ENDBRANCH 27 34 ENDBRANCH 25 26 BRANCH 25 36 ATOM 36 C LIG 1 -2.129 -2.559 -1.409 0.00 0.00 +0.314 C ATOM 37 O LIG 1 -2.013 -3.534 -0.685 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.311 -2.728 -2.737 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -2.329 -3.701 -2.855 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 25 36 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8