REMARK Name = BDB037335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.538 -2.916 0.903 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.218 -2.436 0.773 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.258 -1.752 -0.338 0.00 0.00 +0.025 A ATOM 4 C LIG 1 1.395 -1.052 0.144 0.00 0.00 +0.069 A ATOM 5 N LIG 1 1.657 -1.391 1.415 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 -0.583 -1.785 -1.574 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -2.028 -1.470 -1.142 0.00 0.00 +0.172 C ATOM 8 N LIG 1 0.849 -2.453 1.666 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -2.479 -2.523 -0.089 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -3.662 -2.872 -0.038 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.061 -1.018 -2.709 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.413 0.221 -3.171 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.200 0.870 -4.247 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.285 0.280 -4.880 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.873 0.910 -5.905 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.763 -0.954 -4.467 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.149 -1.603 -3.393 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 1.237 -3.400 2.647 0.00 0.00 +0.067 A ATOM 19 C LIG 1 0.884 -4.748 2.517 0.00 0.00 +0.028 A ATOM 20 C LIG 1 1.297 -5.674 3.476 0.00 0.00 +0.002 A ATOM 21 C LIG 1 2.080 -5.263 4.554 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.469 -3.929 4.666 0.00 0.00 +0.002 A ATOM 23 C LIG 1 2.060 -2.999 3.708 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -2.197 -0.154 -0.495 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -1.748 -0.046 0.407 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -3.282 0.647 -0.772 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -4.063 0.432 -1.690 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -3.469 1.833 0.110 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -2.390 2.459 0.750 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -2.598 3.590 1.560 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -3.904 4.074 1.729 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -4.978 3.459 1.083 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.760 2.346 0.271 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -1.438 4.254 2.262 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -1.269 3.789 3.529 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -1.579 5.603 2.368 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -0.249 4.051 1.628 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -2.576 -4.953 1.919 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -2.111 -3.514 2.113 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 2.249 0.007 -0.479 0.00 0.00 +0.061 C BRANCH 40 41 ATOM 41 C LIG 1 1.627 1.401 -0.347 0.00 0.00 +0.033 C BRANCH 41 42 ATOM 42 C LIG 1 2.415 2.439 -1.099 0.00 0.00 -0.021 C ATOM 43 C LIG 1 2.965 3.514 -0.511 0.00 0.00 +0.063 C BRANCH 43 44 ATOM 44 C LIG 1 3.781 4.541 -1.209 0.00 0.00 +0.236 C ATOM 45 N LIG 1 3.478 4.737 -2.531 0.00 0.00 -0.315 N ATOM 46 H LIG 1 2.638 4.320 -2.906 0.00 0.00 +0.149 HD ATOM 47 C LIG 1 4.108 5.790 -3.285 0.00 0.00 +0.128 C ATOM 48 O LIG 1 4.619 5.181 -0.586 0.00 0.00 -0.271 OA ENDBRANCH 43 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10