REMARK Name = BDB007453 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.385 -1.183 0.092 0.00 0.00 +0.075 C ATOM 2 C LIG 1 -1.581 0.191 -0.574 0.00 0.00 +0.098 C ATOM 3 C LIG 1 -2.932 0.834 -0.317 0.00 0.00 -0.006 A ATOM 4 C LIG 1 -3.535 1.159 -1.535 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -4.774 1.759 -1.630 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -5.436 2.025 -0.435 0.00 0.00 +0.160 A ATOM 7 C LIG 1 -4.867 1.682 0.797 0.00 0.00 +0.159 A ATOM 8 F LIG 1 -5.534 1.930 1.932 0.00 0.00 -0.202 F ATOM 9 F LIG 1 -6.644 2.603 -0.475 0.00 0.00 -0.202 F ATOM 10 N LIG 1 -2.735 0.746 -2.583 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -2.961 0.814 -3.566 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -3.613 1.073 0.869 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -1.592 0.105 -2.130 0.00 0.00 +0.230 C ATOM 14 O LIG 1 -0.748 -0.399 -2.851 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -0.304 0.988 -0.179 0.00 0.00 +0.066 C ATOM 16 C LIG 1 0.717 -0.105 0.230 0.00 0.00 +0.149 C ATOM 17 N LIG 1 0.065 -1.424 0.046 0.00 0.00 -0.301 NA ATOM 18 H LIG 1 0.335 -1.761 -0.891 0.00 0.00 +0.123 HD ENDROOT BRANCH 15 19 ATOM 19 C LIG 1 -0.476 2.077 0.874 0.00 0.00 -0.038 A ATOM 20 C LIG 1 -0.562 3.417 0.454 0.00 0.00 +0.045 A ATOM 21 C LIG 1 -0.731 4.440 1.385 0.00 0.00 +0.159 A ATOM 22 F LIG 1 -0.806 5.708 0.959 0.00 0.00 -0.202 F ATOM 23 C LIG 1 -0.818 4.150 2.739 0.00 0.00 +0.158 A ATOM 24 F LIG 1 -0.977 5.134 3.633 0.00 0.00 -0.202 F ATOM 25 C LIG 1 -0.741 2.834 3.178 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -0.573 1.801 2.250 0.00 0.00 +0.007 A ENDBRANCH 15 19 BRANCH 16 27 ATOM 27 C LIG 1 2.004 -0.018 -0.616 0.00 0.00 +0.231 C ATOM 28 N LIG 1 2.759 1.114 -0.369 0.00 0.00 -0.314 N ATOM 29 H LIG 1 2.536 1.693 0.431 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 2.329 -0.875 -1.434 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 4.026 1.333 -1.042 0.00 0.00 +0.107 C BRANCH 31 32 ATOM 32 C LIG 1 5.149 0.516 -0.404 0.00 0.00 +0.052 C BRANCH 32 33 ATOM 33 C LIG 1 6.489 0.736 -1.114 0.00 0.00 +0.141 C BRANCH 33 34 ATOM 34 O LIG 1 6.389 0.372 -2.489 0.00 0.00 -0.389 OA ATOM 35 H LIG 1 5.992 -0.518 -2.539 0.00 0.00 +0.210 HD ENDBRANCH 33 34 BRANCH 33 36 ATOM 36 C LIG 1 7.620 -0.063 -0.455 0.00 0.00 +0.187 C BRANCH 36 37 ATOM 37 O LIG 1 7.865 0.381 0.874 0.00 0.00 -0.392 OA ATOM 38 H LIG 1 8.309 1.245 0.810 0.00 0.00 +0.210 HD ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 16 27 BRANCH 1 39 ATOM 39 C LIG 1 -2.205 -2.334 -0.530 0.00 0.00 +0.026 C BRANCH 39 41 ATOM 40 C LIG 1 -3.190 -4.636 -0.540 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -2.320 -3.659 0.280 0.00 0.00 -0.036 C ATOM 42 C LIG 1 -3.011 -3.422 1.634 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -0.955 -4.323 0.520 0.00 0.00 +0.010 C ENDBRANCH 39 41 ENDBRANCH 1 39 TORSDOF 10