REMARK Name = BDB037546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.082 1.955 -0.383 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.956 0.858 -0.331 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.536 -0.460 -0.272 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.687 -1.267 -0.448 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.770 -0.481 -0.561 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.894 -0.845 -0.074 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.735 0.218 -0.818 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.332 0.770 -0.262 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.302 1.689 -0.562 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.125 2.607 -0.684 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.743 -2.741 -0.549 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.916 -3.402 -0.205 0.00 0.00 -0.280 N ATOM 13 C LIG 1 -4.156 -2.831 0.343 0.00 0.00 +0.179 C ATOM 14 C LIG 1 -5.071 -4.056 0.526 0.00 0.00 +0.039 C ATOM 15 C LIG 1 -4.552 -5.052 -0.501 0.00 0.00 +0.022 C ATOM 16 C LIG 1 -3.052 -4.825 -0.452 0.00 0.00 +0.109 C ATOM 17 O LIG 1 -0.760 -3.379 -0.933 0.00 0.00 -0.268 OA BRANCH 13 18 ATOM 18 C LIG 1 -3.985 -2.141 1.638 0.00 0.00 +0.085 C ATOM 19 N LIG 1 -3.860 -1.608 2.663 0.00 0.00 -0.195 NA ENDBRANCH 13 18 ENDBRANCH 4 11 BRANCH 8 20 ATOM 20 C LIG 1 -3.370 1.680 0.213 0.00 0.00 +0.114 C ATOM 21 C LIG 1 -3.884 2.659 -0.839 0.00 0.00 +0.055 C ATOM 22 C LIG 1 -5.073 3.454 -0.304 0.00 0.00 +0.162 C ATOM 23 O LIG 1 -5.112 3.542 1.120 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -3.825 3.647 1.718 0.00 0.00 +0.162 C ATOM 25 C LIG 1 -3.088 2.323 1.578 0.00 0.00 +0.055 C ENDBRANCH 8 20 BRANCH 7 26 ATOM 26 N LIG 1 3.194 0.029 -0.848 0.00 0.00 -0.299 N ATOM 27 H LIG 1 3.621 0.116 -1.760 0.00 0.00 +0.150 HD ATOM 28 C LIG 1 4.009 0.314 0.228 0.00 0.00 +0.245 C ATOM 29 O LIG 1 3.610 0.665 1.329 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 5.473 0.223 -0.029 0.00 0.00 +0.037 A ATOM 31 C LIG 1 6.006 -0.680 -0.960 0.00 0.00 +0.025 A ATOM 32 C LIG 1 7.394 -0.743 -1.178 0.00 0.00 +0.056 A ATOM 33 C LIG 1 8.238 0.096 -0.433 0.00 0.00 +0.012 A ATOM 34 C LIG 1 7.710 0.984 0.505 0.00 0.00 +0.001 A ATOM 35 C LIG 1 6.332 1.045 0.709 0.00 0.00 +0.013 A BRANCH 32 36 ATOM 36 C LIG 1 7.966 -1.730 -2.165 0.00 0.00 +0.417 C ATOM 37 F LIG 1 7.145 -1.944 -3.232 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.159 -1.336 -2.690 0.00 0.00 -0.166 F ATOM 39 F LIG 1 8.184 -2.953 -1.609 0.00 0.00 -0.166 F ENDBRANCH 32 36 ENDBRANCH 28 30 ENDBRANCH 7 26 BRANCH 6 40 ATOM 40 C LIG 1 1.310 -1.105 1.361 0.00 0.00 -0.001 C ATOM 41 C LIG 1 0.905 -0.216 2.515 0.00 0.00 +0.004 C ATOM 42 C LIG 1 0.362 -1.614 2.428 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -0.536 3.832 -1.926 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.445 3.361 -0.480 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 8