REMARK Name = BDB026199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.350 -0.864 0.363 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.437 0.172 0.040 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.140 0.170 0.563 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.718 -0.856 1.425 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -1.632 -1.869 1.738 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -1.265 -2.878 2.544 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.927 -1.880 1.220 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -6.085 -4.096 -1.658 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.727 -3.087 -0.559 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.897 -2.710 0.278 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -8.025 -2.178 -0.487 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -6.450 -1.738 1.304 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -5.723 -0.490 0.755 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -4.641 -0.813 -0.202 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.953 -1.886 -1.172 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 0.644 -0.864 1.973 0.00 0.00 +0.021 A ATOM 17 C LIG 1 0.877 -0.737 3.350 0.00 0.00 +0.134 A ATOM 18 F LIG 1 -0.153 -0.587 4.197 0.00 0.00 -0.205 F ATOM 19 C LIG 1 2.164 -0.745 3.875 0.00 0.00 +0.078 A ATOM 20 C LIG 1 3.250 -0.889 3.018 0.00 0.00 +0.138 A ATOM 21 F LIG 1 4.478 -0.893 3.561 0.00 0.00 -0.205 F ATOM 22 C LIG 1 3.070 -1.024 1.639 0.00 0.00 +0.073 A ATOM 23 C LIG 1 1.759 -1.004 1.127 0.00 0.00 +0.027 A BRANCH 22 24 ATOM 24 C LIG 1 4.202 -1.199 0.678 0.00 0.00 +0.247 C ATOM 25 N LIG 1 5.476 -1.133 1.194 0.00 0.00 -0.306 N ATOM 26 H LIG 1 5.561 -0.956 2.189 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 3.941 -1.389 -0.504 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 6.756 -1.261 0.481 0.00 0.00 +0.030 C ATOM 29 C LIG 1 6.653 -1.662 -1.002 0.00 0.00 +0.031 C ATOM 30 C LIG 1 7.516 -2.421 1.173 0.00 0.00 +0.031 C BRANCH 28 31 ATOM 31 C LIG 1 7.625 0.023 0.672 0.00 0.00 +0.031 C BRANCH 31 32 ATOM 32 C LIG 1 7.075 1.455 0.377 0.00 0.00 -0.036 C ATOM 33 C LIG 1 6.053 1.908 1.435 0.00 0.00 +0.010 C ATOM 34 C LIG 1 6.452 1.601 -1.015 0.00 0.00 +0.010 C ATOM 35 C LIG 1 8.278 2.428 0.460 0.00 0.00 +0.010 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 25 28 ENDBRANCH 22 24 ENDBRANCH 4 16 BRANCH 2 36 ATOM 36 N LIG 1 -2.934 1.172 -0.826 0.00 0.00 -0.280 N ATOM 37 H LIG 1 -3.900 0.987 -1.092 0.00 0.00 +0.155 HD ATOM 38 C LIG 1 -2.264 2.253 -1.342 0.00 0.00 +0.249 C ATOM 39 O LIG 1 -1.091 2.559 -1.181 0.00 0.00 -0.270 OA BRANCH 38 40 ATOM 40 C LIG 1 -3.078 3.099 -2.248 0.00 0.00 +0.049 A ATOM 41 C LIG 1 -4.237 3.770 -1.821 0.00 0.00 +0.070 A ATOM 42 C LIG 1 -4.947 4.536 -2.762 0.00 0.00 +0.051 A ATOM 43 C LIG 1 -4.489 4.646 -4.072 0.00 0.00 +0.124 A ATOM 44 F LIG 1 -5.179 5.386 -4.947 0.00 0.00 -0.205 F ATOM 45 C LIG 1 -3.326 4.008 -4.482 0.00 0.00 +0.039 A ATOM 46 C LIG 1 -2.615 3.234 -3.567 0.00 0.00 +0.016 A BRANCH 41 47 ATOM 47 C LIG 1 -4.724 3.692 -0.399 0.00 0.00 +0.418 C ATOM 48 F LIG 1 -5.318 2.498 -0.128 0.00 0.00 -0.166 F ATOM 49 F LIG 1 -3.746 3.860 0.526 0.00 0.00 -0.166 F ATOM 50 F LIG 1 -5.666 4.636 -0.109 0.00 0.00 -0.166 F ENDBRANCH 41 47 ENDBRANCH 38 40 ENDBRANCH 2 36 TORSDOF 9