REMARK Name = BDB037448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.182 -0.049 -1.518 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -1.048 -0.465 -0.783 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.119 0.283 -0.240 0.00 0.00 +0.083 C ATOM 4 C LIG 1 0.791 -0.579 0.853 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.955 -2.056 0.411 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.171 -2.681 -0.166 0.00 0.00 -0.254 N ATOM 7 O LIG 1 2.012 -2.658 0.632 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.184 -1.832 -0.639 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -2.466 -2.132 -1.089 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -2.969 -1.095 -1.814 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 1.020 0.657 -1.413 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.444 1.996 -1.526 0.00 0.00 +0.007 A ATOM 13 C LIG 1 2.297 2.401 -2.555 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.742 1.468 -3.478 0.00 0.00 +0.123 A ATOM 15 F LIG 1 3.561 1.852 -4.466 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.350 0.140 -3.391 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.496 -0.265 -2.363 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -3.330 -3.212 -0.753 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.154 -3.940 0.431 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.038 -4.971 0.756 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.108 -5.269 -0.086 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.306 -4.528 -1.250 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.427 -3.494 -1.580 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 2.079 -0.053 1.304 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.880 -0.666 1.186 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.158 1.085 2.068 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.167 1.706 2.437 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.522 1.533 2.458 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.650 1.243 1.679 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.924 1.692 2.073 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.047 2.442 3.253 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.922 2.747 4.020 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.663 2.297 3.622 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.128 1.377 1.219 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.303 1.822 1.745 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.041 1.925 -0.023 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.288 0.038 1.028 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -0.011 -4.078 -0.587 0.00 0.00 +0.112 C ATOM 39 C LIG 1 0.718 -4.204 -1.919 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 -2.567 1.333 -1.962 0.00 0.00 +0.165 C BRANCH 40 42 ATOM 41 C LIG 1 -2.435 3.103 -0.286 0.00 0.00 +0.242 C ATOM 42 N LIG 1 -3.168 2.074 -0.849 0.00 0.00 -0.295 N ATOM 43 C LIG 1 -4.412 1.540 -0.303 0.00 0.00 +0.132 C ATOM 44 O LIG 1 -1.373 3.517 -0.742 0.00 0.00 -0.270 OA BRANCH 41 46 ATOM 45 C LIG 1 -3.889 4.677 0.867 0.00 0.00 +0.017 C ATOM 46 C LIG 1 -2.958 3.716 0.963 0.00 0.00 +0.004 C ATOM 47 C LIG 1 -2.309 3.263 2.228 0.00 0.00 +0.048 C ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 9