REMARK Name = BDB020743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.112 3.066 -1.191 0.00 0.00 +0.007 A ATOM 2 C LIG 1 1.108 2.228 -0.730 0.00 0.00 +0.055 A ATOM 3 N LIG 1 1.619 1.403 0.284 0.00 0.00 -0.318 N ATOM 4 C LIG 1 0.822 0.477 1.023 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -0.488 0.334 0.655 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -1.009 1.153 -0.446 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -1.490 -0.609 1.280 0.00 0.00 +0.046 C ATOM 8 C LIG 1 2.974 1.675 0.349 0.00 0.00 +0.092 A ATOM 9 C LIG 1 -0.258 2.063 -1.089 0.00 0.00 +0.040 A ATOM 10 C LIG 1 3.295 2.694 -0.518 0.00 0.00 +0.028 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 0.869 6.061 -3.071 0.00 0.00 +0.119 A ATOM 12 N LIG 1 1.646 6.043 -4.172 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 2.571 5.064 -4.285 0.00 0.00 +0.113 A ATOM 14 C LIG 1 2.763 4.073 -3.343 0.00 0.00 +0.028 A ATOM 15 C LIG 1 1.946 4.080 -2.218 0.00 0.00 -0.011 A ATOM 16 C LIG 1 0.988 5.087 -2.083 0.00 0.00 +0.052 A BRANCH 11 18 ATOM 17 C LIG 1 -0.121 8.066 -3.947 0.00 0.00 +0.127 C ATOM 18 N LIG 1 -0.124 7.043 -2.915 0.00 0.00 -0.332 N ATOM 19 H LIG 1 -0.052 7.441 -1.983 0.00 0.00 +0.147 HD ENDBRANCH 11 18 ENDBRANCH 1 15 BRANCH 6 20 ATOM 20 C LIG 1 -2.414 1.054 -0.931 0.00 0.00 +0.245 C ATOM 21 N LIG 1 -2.599 0.024 -1.818 0.00 0.00 -0.307 N ATOM 22 H LIG 1 -1.831 -0.611 -2.008 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -3.281 1.830 -0.553 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.911 -0.372 -2.281 0.00 0.00 +0.149 C BRANCH 24 25 ATOM 25 C LIG 1 -4.408 -1.518 -1.455 0.00 0.00 +0.075 A ATOM 26 C LIG 1 -3.662 -2.808 -1.581 0.00 0.00 +0.257 A ATOM 27 O LIG 1 -2.713 -2.934 -2.349 0.00 0.00 -0.267 OA ATOM 28 N LIG 1 -4.085 -3.844 -0.784 0.00 0.00 -0.326 N ATOM 29 H LIG 1 -3.548 -4.702 -0.861 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 -5.141 -3.772 0.095 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.433 -4.990 0.914 0.00 0.00 +0.063 C ATOM 32 C LIG 1 -5.837 -2.628 0.180 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -5.477 -1.491 -0.639 0.00 0.00 +0.132 A BRANCH 33 34 ATOM 34 O LIG 1 -6.231 -0.356 -0.433 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -7.427 -0.378 -1.210 0.00 0.00 +0.277 C ENDBRANCH 33 34 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 6 20 BRANCH 4 36 ATOM 36 C LIG 1 1.394 -0.294 2.230 0.00 0.00 +0.101 C ATOM 37 C LIG 1 2.366 0.454 3.162 0.00 0.00 +0.031 C BRANCH 36 38 ATOM 38 N LIG 1 1.754 -1.684 1.888 0.00 0.00 -0.292 NA ATOM 39 C LIG 1 1.753 -2.605 3.042 0.00 0.00 +0.100 C ATOM 40 C LIG 1 3.040 -3.443 3.235 0.00 0.00 +0.100 C ATOM 41 N LIG 1 4.233 -2.605 3.069 0.00 0.00 -0.292 NA ATOM 42 C LIG 1 4.292 -2.056 1.701 0.00 0.00 +0.100 C ATOM 43 C LIG 1 2.911 -1.883 1.014 0.00 0.00 +0.100 C BRANCH 41 44 ATOM 44 C LIG 1 5.488 -3.284 3.474 0.00 0.00 +0.198 C BRANCH 44 45 ATOM 45 C LIG 1 5.850 -4.681 2.927 0.00 0.00 +0.402 C ATOM 46 F LIG 1 5.909 -4.701 1.577 0.00 0.00 -0.169 F ATOM 47 F LIG 1 4.956 -5.617 3.317 0.00 0.00 -0.169 F ATOM 48 F LIG 1 7.062 -5.068 3.389 0.00 0.00 -0.169 F ENDBRANCH 44 45 ENDBRANCH 41 44 ENDBRANCH 36 38 ENDBRANCH 4 36 TORSDOF 10