REMARK Name = BDB037350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.969 -0.473 1.438 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.342 -0.502 0.897 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.415 0.526 0.766 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -2.605 -0.060 -0.030 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -2.918 -1.515 0.412 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -1.833 -2.411 0.463 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -4.082 -1.867 0.636 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -0.567 -1.834 0.622 0.00 0.00 +0.135 A ATOM 9 N LIG 1 0.690 -2.427 0.614 0.00 0.00 -0.218 N ATOM 10 N LIG 1 1.556 -1.677 1.348 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -0.775 1.730 0.086 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.783 2.977 0.737 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.194 4.096 0.144 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.392 3.980 -1.108 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.956 5.054 -1.675 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.399 2.768 -1.783 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.182 1.646 -1.190 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 1.189 -3.511 -0.163 0.00 0.00 +0.067 A ATOM 19 C LIG 1 0.488 -3.988 -1.278 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.036 -5.001 -2.068 0.00 0.00 +0.002 A ATOM 21 C LIG 1 2.293 -5.524 -1.770 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.006 -5.039 -0.677 0.00 0.00 +0.002 A ATOM 23 C LIG 1 2.458 -4.036 0.126 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -3.828 0.736 0.141 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -4.446 0.450 0.892 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.218 1.685 -0.774 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -3.549 1.988 -1.755 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.510 2.375 -0.514 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -6.567 1.761 0.170 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -7.763 2.460 0.410 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -7.896 3.771 -0.071 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.852 4.378 -0.768 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.664 3.682 -0.991 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -8.903 1.796 1.142 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -8.477 0.918 2.093 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -9.710 2.680 1.791 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -9.712 1.086 0.310 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -2.130 -3.800 0.841 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -2.295 -3.965 2.347 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 1.719 0.667 2.047 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 3.366 2.296 1.245 0.00 0.00 +0.241 C ATOM 42 N LIG 1 2.689 1.122 1.087 0.00 0.00 -0.306 N ATOM 43 H LIG 1 3.140 0.399 0.523 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 3.073 3.126 2.097 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 5.389 3.471 0.585 0.00 0.00 +0.019 C ATOM 46 C LIG 1 4.531 2.470 0.312 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 4.695 1.569 -0.891 0.00 0.00 +0.124 C BRANCH 47 48 ATOM 48 N LIG 1 4.726 0.135 -0.570 0.00 0.00 -0.294 NA ATOM 49 C LIG 1 5.896 -0.244 0.249 0.00 0.00 +0.113 C ATOM 50 C LIG 1 6.043 -1.771 0.300 0.00 0.00 +0.175 C ATOM 51 O LIG 1 6.325 -2.351 -0.983 0.00 0.00 -0.377 OA ATOM 52 C LIG 1 5.877 -1.544 -2.079 0.00 0.00 +0.175 C ATOM 53 C LIG 1 4.611 -0.727 -1.764 0.00 0.00 +0.113 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11