REMARK Name = BDB047152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.955 1.370 0.001 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.398 1.744 -0.210 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -0.754 3.088 -0.327 0.00 0.00 +0.058 A ATOM 4 C LIG 1 0.241 4.069 -0.226 0.00 0.00 +0.128 A ATOM 5 C LIG 1 1.580 3.716 -0.008 0.00 0.00 +0.034 A ATOM 6 C LIG 1 1.931 2.370 0.106 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.857 -2.120 0.581 0.00 0.00 +0.105 C ATOM 8 N LIG 1 3.409 -2.011 0.742 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 2.712 -1.912 -0.559 0.00 0.00 +0.103 C ATOM 10 C LIG 1 2.206 -0.496 -0.915 0.00 0.00 +0.120 C ATOM 11 N LIG 1 1.259 -0.008 0.116 0.00 0.00 -0.326 N ATOM 12 C LIG 1 1.598 -0.420 1.505 0.00 0.00 +0.120 C ATOM 13 C LIG 1 3.066 -0.883 1.636 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 2 14 ATOM 14 N LIG 1 -1.312 0.671 -0.283 0.00 0.00 -0.280 N ATOM 15 H LIG 1 -0.848 -0.228 -0.154 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 -2.663 0.720 -0.506 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -3.347 1.707 -0.735 0.00 0.00 -0.270 OA BRANCH 16 18 ATOM 18 C LIG 1 -3.290 -0.632 -0.501 0.00 0.00 +0.065 A ATOM 19 C LIG 1 -3.436 -1.456 0.694 0.00 0.00 +0.073 A ATOM 20 C LIG 1 -4.026 -2.665 0.590 0.00 0.00 +0.083 A ATOM 21 C LIG 1 -4.523 -3.156 -0.719 0.00 0.00 +0.249 A ATOM 22 O LIG 1 -5.045 -4.257 -0.825 0.00 0.00 -0.268 OA ATOM 23 N LIG 1 -4.359 -2.298 -1.778 0.00 0.00 -0.328 N ATOM 24 H LIG 1 -4.717 -2.624 -2.669 0.00 0.00 +0.168 HD ATOM 25 C LIG 1 -3.765 -1.064 -1.680 0.00 0.00 +0.099 A BRANCH 19 26 ATOM 26 C LIG 1 -2.960 -0.918 2.007 0.00 0.00 +0.418 C ATOM 27 F LIG 1 -1.605 -0.847 2.053 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -3.333 -1.704 3.052 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -3.438 0.321 2.269 0.00 0.00 -0.166 F ENDBRANCH 19 26 ENDBRANCH 16 18 ENDBRANCH 2 14 BRANCH 4 30 ATOM 30 N LIG 1 -0.118 5.488 -0.347 0.00 0.00 +0.056 N ATOM 31 O LIG 1 -1.291 5.769 -0.629 0.00 0.00 -0.126 OA ATOM 32 O LIG 1 0.778 6.324 -0.162 0.00 0.00 -0.126 OA ENDBRANCH 4 30 TORSDOF 5