REMARK Name = BDB037547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.071 -1.930 1.483 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.823 -0.956 1.024 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.469 0.353 0.749 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.687 1.045 0.532 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.720 0.185 0.527 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.949 0.827 0.810 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.873 -0.403 0.596 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.176 -1.027 0.781 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.445 -1.604 1.463 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.304 -2.312 1.999 0.00 0.00 -0.273 OA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.065 -2.179 0.695 0.00 0.00 +0.114 C ATOM 12 C LIG 1 -3.792 -2.273 -0.661 0.00 0.00 +0.055 C ATOM 13 C LIG 1 -5.092 -3.058 -0.539 0.00 0.00 +0.162 C ATOM 14 O LIG 1 -4.964 -4.044 0.480 0.00 0.00 -0.380 OA ATOM 15 C LIG 1 -4.916 -3.472 1.789 0.00 0.00 +0.162 C ATOM 16 C LIG 1 -4.068 -2.205 1.849 0.00 0.00 +0.055 C ENDBRANCH 8 11 BRANCH 4 17 ATOM 17 C LIG 1 -1.901 2.496 0.408 0.00 0.00 +0.268 C ATOM 18 N LIG 1 -2.711 2.960 -0.636 0.00 0.00 -0.284 N ATOM 19 C LIG 1 -3.096 2.137 -1.778 0.00 0.00 +0.133 C ATOM 20 O LIG 1 -1.406 3.268 1.228 0.00 0.00 -0.268 OA BRANCH 18 21 ATOM 21 C LIG 1 -3.017 4.401 -0.665 0.00 0.00 +0.176 C ATOM 22 C LIG 1 -4.447 4.693 -1.126 0.00 0.00 +0.044 C BRANCH 21 23 ATOM 23 C LIG 1 -2.042 5.139 -1.503 0.00 0.00 +0.085 C ATOM 24 N LIG 1 -1.290 5.708 -2.182 0.00 0.00 -0.195 NA ENDBRANCH 21 23 ENDBRANCH 18 21 ENDBRANCH 4 17 BRANCH 7 25 ATOM 25 N LIG 1 1.893 -0.878 -0.802 0.00 0.00 -0.299 N ATOM 26 H LIG 1 1.003 -1.114 -1.224 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 2.946 -1.017 -1.663 0.00 0.00 +0.245 C ATOM 28 O LIG 1 2.749 -1.308 -2.838 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 4.324 -0.779 -1.195 0.00 0.00 +0.037 A ATOM 30 C LIG 1 5.085 0.206 -1.833 0.00 0.00 +0.025 A ATOM 31 C LIG 1 6.404 0.455 -1.422 0.00 0.00 +0.056 A ATOM 32 C LIG 1 6.949 -0.323 -0.387 0.00 0.00 +0.012 A ATOM 33 C LIG 1 6.193 -1.323 0.229 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.881 -1.558 -0.179 0.00 0.00 +0.013 A BRANCH 31 35 ATOM 35 C LIG 1 7.231 1.510 -2.113 0.00 0.00 +0.417 C ATOM 36 F LIG 1 7.861 1.035 -3.221 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.492 2.577 -2.527 0.00 0.00 -0.166 F ATOM 38 F LIG 1 8.210 2.026 -1.317 0.00 0.00 -0.166 F ENDBRANCH 31 35 ENDBRANCH 27 29 ENDBRANCH 7 25 BRANCH 6 39 ATOM 39 C LIG 1 1.316 1.925 -0.174 0.00 0.00 -0.001 C ATOM 40 C LIG 1 2.665 2.605 -0.086 0.00 0.00 +0.004 C ATOM 41 C LIG 1 1.422 3.367 0.261 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 -0.072 -4.392 1.262 0.00 0.00 +0.025 C ATOM 43 C LIG 1 -0.284 -3.177 2.155 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 9