REMARK Name = BDB037300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.768 1.244 0.576 0.00 0.00 +0.089 A ATOM 2 C LIG 1 0.631 1.072 0.488 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.466 -0.152 0.567 0.00 0.00 +0.083 C ATOM 4 C LIG 1 2.672 0.006 -0.366 0.00 0.00 +0.172 C ATOM 5 C LIG 1 3.323 1.412 -0.347 0.00 0.00 +0.242 C ATOM 6 N LIG 1 2.481 2.540 -0.225 0.00 0.00 -0.254 N ATOM 7 O LIG 1 4.542 1.521 -0.538 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 1.148 2.314 0.169 0.00 0.00 +0.135 A ATOM 9 N LIG 1 0.073 3.196 0.318 0.00 0.00 -0.218 N ATOM 10 N LIG 1 -1.108 2.514 0.306 0.00 0.00 -0.167 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 1.767 -0.355 2.049 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.190 -1.458 2.712 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.444 -1.696 4.064 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.279 -0.839 4.765 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.527 -1.067 6.061 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.862 0.254 4.141 0.00 0.00 +0.038 A ATOM 17 C LIG 1 2.610 0.496 2.789 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 0.030 4.586 0.598 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -1.061 5.344 0.150 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -1.127 6.709 0.439 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -0.123 7.314 1.193 0.00 0.00 +0.000 A ATOM 22 C LIG 1 0.938 6.552 1.681 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.009 5.186 1.395 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 3.684 -1.031 -0.145 0.00 0.00 -0.299 N ATOM 25 H LIG 1 4.463 -0.779 0.456 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.842 -2.083 -1.017 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.128 -2.273 -1.995 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.977 -2.997 -0.730 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.646 -3.599 -1.803 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.722 -4.472 -1.574 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.099 -4.750 -0.252 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.421 -4.164 0.820 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.361 -3.288 0.584 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.430 -5.125 -2.733 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.760 -6.208 -3.203 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.588 -4.291 -3.793 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.681 -5.566 -2.420 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 1 38 ATOM 38 C LIG 1 -1.825 0.207 0.863 0.00 0.00 +0.121 C ATOM 39 C LIG 1 -2.321 0.303 2.307 0.00 0.00 +0.034 C BRANCH 38 41 ATOM 40 C LIG 1 -3.809 -0.580 -0.372 0.00 0.00 +0.241 C ATOM 41 N LIG 1 -2.909 0.410 -0.079 0.00 0.00 -0.303 N ATOM 42 H LIG 1 -3.078 1.371 -0.347 0.00 0.00 +0.150 HD ATOM 43 O LIG 1 -3.734 -1.705 0.110 0.00 0.00 -0.271 OA BRANCH 40 45 ATOM 44 C LIG 1 -4.791 0.789 -2.191 0.00 0.00 +0.019 C ATOM 45 C LIG 1 -4.949 -0.163 -1.248 0.00 0.00 +0.021 C BRANCH 45 46 ATOM 46 C LIG 1 -6.271 -0.831 -0.955 0.00 0.00 +0.124 C BRANCH 46 47 ATOM 47 N LIG 1 -6.457 -2.113 -1.647 0.00 0.00 -0.294 NA ATOM 48 C LIG 1 -6.853 -1.984 -3.066 0.00 0.00 +0.113 C ATOM 49 C LIG 1 -8.337 -2.306 -3.320 0.00 0.00 +0.175 C ATOM 50 O LIG 1 -8.714 -3.624 -2.896 0.00 0.00 -0.377 OA ATOM 51 C LIG 1 -7.933 -4.107 -1.794 0.00 0.00 +0.175 C ATOM 52 C LIG 1 -7.397 -2.975 -0.909 0.00 0.00 +0.113 C ENDBRANCH 46 47 ENDBRANCH 45 46 ENDBRANCH 40 45 ENDBRANCH 38 41 ENDBRANCH 1 38 BRANCH 6 53 ATOM 53 C LIG 1 3.027 3.805 -0.722 0.00 0.00 +0.112 C ATOM 54 C LIG 1 4.119 4.403 0.159 0.00 0.00 +0.025 C ENDBRANCH 6 53 TORSDOF 11