REMARK Name = BDB037487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.358 2.409 -1.443 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.146 1.366 -0.929 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.994 0.033 -1.246 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.222 -0.581 -0.875 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.025 0.306 -0.257 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.165 -0.473 -2.020 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.280 0.591 -2.139 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.245 1.409 -0.079 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.749 2.044 -2.231 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.369 2.862 -2.922 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.620 -1.812 -1.450 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.716 -2.075 -0.069 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.163 -3.313 0.396 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.523 -4.297 -0.513 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.956 -5.483 -0.067 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.442 -4.068 -1.880 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.996 -2.830 -2.347 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.572 2.322 0.957 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -1.570 3.059 1.597 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -1.901 3.935 2.633 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.227 4.063 3.045 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.224 3.304 2.433 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.899 2.425 1.399 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 4 24 ATOM 24 C LIG 1 -2.665 -1.946 -1.221 0.00 0.00 +0.268 C ATOM 25 N LIG 1 -3.336 -2.709 -0.254 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -3.646 -2.205 1.083 0.00 0.00 +0.133 C ATOM 27 O LIG 1 -2.442 -2.390 -2.348 0.00 0.00 -0.268 OA BRANCH 25 28 ATOM 28 C LIG 1 -4.010 -3.937 -0.719 0.00 0.00 +0.176 C ATOM 29 C LIG 1 -5.489 -3.668 -1.007 0.00 0.00 +0.044 C BRANCH 28 30 ATOM 30 C LIG 1 -3.862 -5.074 0.219 0.00 0.00 +0.085 C ATOM 31 N LIG 1 -3.761 -5.960 0.963 0.00 0.00 -0.195 NA ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 4 24 BRANCH 7 32 ATOM 32 N LIG 1 2.437 0.514 -1.232 0.00 0.00 -0.299 N ATOM 33 H LIG 1 3.237 0.010 -1.589 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 2.382 0.757 0.120 0.00 0.00 +0.245 C ATOM 35 O LIG 1 1.379 1.123 0.718 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 3.639 0.506 0.878 0.00 0.00 +0.037 A ATOM 37 C LIG 1 4.901 0.706 0.303 0.00 0.00 +0.025 A ATOM 38 C LIG 1 6.069 0.452 1.045 0.00 0.00 +0.056 A ATOM 39 C LIG 1 5.950 0.020 2.376 0.00 0.00 +0.012 A ATOM 40 C LIG 1 4.693 -0.161 2.954 0.00 0.00 +0.001 A ATOM 41 C LIG 1 3.540 0.085 2.209 0.00 0.00 +0.013 A BRANCH 38 42 ATOM 42 C LIG 1 7.429 0.686 0.432 0.00 0.00 +0.417 C ATOM 43 F LIG 1 7.449 0.447 -0.909 0.00 0.00 -0.166 F ATOM 44 F LIG 1 7.855 1.968 0.592 0.00 0.00 -0.166 F ATOM 45 F LIG 1 8.400 -0.104 0.965 0.00 0.00 -0.166 F ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 7 32 BRANCH 1 47 ATOM 46 C LIG 1 0.155 4.808 -0.915 0.00 0.00 +0.025 C ATOM 47 C LIG 1 -0.809 3.802 -1.535 0.00 0.00 +0.112 C ENDBRANCH 1 47 TORSDOF 9