REMARK Name = BDB037389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.409 0.850 -2.110 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.385 0.227 -1.392 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.357 0.076 -0.023 0.00 0.00 +0.027 A ATOM 4 C LIG 1 0.643 -0.893 0.222 0.00 0.00 +0.086 A ATOM 5 N LIG 1 1.233 -1.267 -0.926 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -1.313 0.765 0.875 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -2.635 1.030 0.130 0.00 0.00 +0.172 C ATOM 8 N LIG 1 0.818 -0.331 -1.824 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -2.500 1.368 -1.381 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -3.436 1.941 -1.954 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.574 2.009 1.361 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.324 3.129 0.544 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.380 4.231 1.038 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.837 4.226 2.349 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.515 5.283 2.817 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.598 3.141 3.180 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.107 2.040 2.689 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 1.704 0.070 -2.863 0.00 0.00 +0.067 A ATOM 19 C LIG 1 1.663 1.372 -3.380 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.574 1.762 -4.365 0.00 0.00 +0.002 A ATOM 21 C LIG 1 3.540 0.865 -4.821 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.608 -0.420 -4.283 0.00 0.00 +0.002 A ATOM 23 C LIG 1 2.700 -0.816 -3.298 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -3.547 -0.130 0.184 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -3.583 -0.740 -0.623 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.192 -0.482 1.347 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -4.040 0.119 2.404 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.056 -1.690 1.282 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.748 -2.043 0.116 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -6.541 -3.204 0.084 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -6.644 -3.992 1.244 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -5.972 -3.629 2.411 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.184 -2.479 2.433 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -7.304 -3.589 -1.161 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -7.240 -4.924 -1.425 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -6.845 -2.967 -2.283 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -8.627 -3.285 -1.075 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -2.446 -0.423 -3.966 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.580 0.766 -3.565 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 1.073 -1.500 1.520 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 2.372 -0.960 1.853 0.00 0.00 -0.306 N ATOM 42 H LIG 1 3.070 -1.009 1.116 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 2.652 -0.400 3.069 0.00 0.00 +0.241 C ATOM 44 O LIG 1 1.824 -0.370 3.976 0.00 0.00 -0.271 OA BRANCH 43 45 ATOM 45 C LIG 1 4.013 0.170 3.193 0.00 0.00 +0.025 C ATOM 46 C LIG 1 4.666 0.924 4.330 0.00 0.00 +0.046 C ATOM 47 C LIG 1 5.912 1.010 3.421 0.00 0.00 +0.047 C ATOM 48 C LIG 1 5.108 0.224 2.415 0.00 0.00 +0.045 C BRANCH 48 49 ATOM 49 C LIG 1 5.375 -0.285 1.063 0.00 0.00 +0.335 C ATOM 50 O LIG 1 4.646 -0.964 0.354 0.00 0.00 -0.245 OA BRANCH 49 51 ATOM 51 O LIG 1 6.613 0.161 0.719 0.00 0.00 -0.465 OA ATOM 52 C LIG 1 7.013 -0.198 -0.605 0.00 0.00 +0.280 C ENDBRANCH 49 51 ENDBRANCH 48 49 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 11