REMARK Name = BDB025692 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.477 -0.924 -0.568 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.980 0.387 -0.361 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.399 0.625 -0.298 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.330 -0.420 -0.443 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.814 -1.707 -0.656 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.646 -2.753 -0.785 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.556 -1.962 -0.719 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.276 -3.925 1.097 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.228 -2.741 0.890 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.127 -3.082 -0.239 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.533 -3.084 0.151 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.912 -2.227 -1.422 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.418 -1.947 -1.675 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.871 -1.134 -0.574 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.441 -1.402 0.770 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.777 -0.165 -0.373 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.358 0.708 0.525 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.684 0.960 0.612 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.502 0.320 -0.237 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.040 -0.547 -1.152 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.706 -0.768 -1.197 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.856 0.579 -0.192 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.731 -0.328 -0.939 0.00 0.00 +0.136 C ATOM 24 C LIG 1 9.195 0.089 -0.736 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.619 0.059 0.636 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.551 0.293 1.569 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.424 1.182 1.017 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.958 1.401 -0.257 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.893 1.041 -0.424 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.776 2.754 -0.074 0.00 0.00 +0.248 C ATOM 31 O LIG 1 -0.703 3.336 0.032 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.031 3.560 -0.030 0.00 0.00 +0.037 A ATOM 33 C LIG 1 -2.995 4.872 -0.518 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -4.146 5.661 -0.497 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -5.334 5.147 0.021 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.372 3.847 0.525 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.223 3.053 0.505 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5