REMARK Name = BDB050751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.502 -0.110 -0.134 0.00 0.00 +0.075 A ATOM 2 C LIG 1 0.391 -0.796 -1.339 0.00 0.00 +0.170 A ATOM 3 F LIG 1 -0.631 -0.560 -2.175 0.00 0.00 -0.202 F ATOM 4 C LIG 1 1.346 -1.746 -1.676 0.00 0.00 +0.159 A ATOM 5 F LIG 1 1.232 -2.431 -2.821 0.00 0.00 -0.202 F ATOM 6 C LIG 1 2.430 -2.000 -0.837 0.00 0.00 +0.045 A ATOM 7 C LIG 1 2.581 -1.284 0.361 0.00 0.00 -0.038 A ATOM 8 C LIG 1 1.600 -0.343 0.710 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 9 N LIG 1 -4.670 0.237 0.461 0.00 0.00 -0.311 N ATOM 10 C LIG 1 -3.801 -0.820 -0.108 0.00 0.00 +0.125 C ATOM 11 C LIG 1 -2.377 -0.685 0.461 0.00 0.00 +0.127 C ATOM 12 N LIG 1 -1.821 0.665 0.259 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -0.458 0.943 0.238 0.00 0.00 +0.250 C ATOM 14 O LIG 1 0.016 2.042 0.525 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 -2.718 1.754 0.670 0.00 0.00 +0.127 C ATOM 16 C LIG 1 -4.149 1.586 0.123 0.00 0.00 +0.125 C BRANCH 9 18 ATOM 17 C LIG 1 -7.056 0.605 0.858 0.00 0.00 +0.092 A ATOM 18 C LIG 1 -6.018 0.103 0.058 0.00 0.00 +0.139 A ATOM 19 N LIG 1 -6.285 -0.528 -1.112 0.00 0.00 -0.239 NA ATOM 20 C LIG 1 -7.572 -0.650 -1.506 0.00 0.00 +0.113 A ATOM 21 C LIG 1 -8.646 -0.172 -0.781 0.00 0.00 +0.021 A ATOM 22 C LIG 1 -8.381 0.464 0.425 0.00 0.00 +0.024 A BRANCH 17 24 ATOM 23 N LIG 1 -6.635 1.763 3.139 0.00 0.00 -0.191 NA ATOM 24 C LIG 1 -6.802 1.231 2.119 0.00 0.00 +0.103 C ENDBRANCH 17 24 ENDBRANCH 9 18 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 C LIG 1 3.758 -1.536 1.276 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 5.103 -1.456 0.566 0.00 0.00 +0.074 A ATOM 27 C LIG 1 5.705 -0.135 0.251 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.931 -0.139 -0.413 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.564 1.064 -0.751 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.965 2.278 -0.422 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.740 2.289 0.242 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.558 -1.424 -0.759 0.00 0.00 +0.272 A ATOM 33 O LIG 1 8.637 -1.476 -1.339 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.865 -2.552 -0.393 0.00 0.00 -0.242 N ATOM 35 H LIG 1 7.284 -3.448 -0.624 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 5.109 1.088 0.581 0.00 0.00 +0.010 A ATOM 37 N LIG 1 5.668 -2.585 0.250 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 5