REMARK Name = BDB038338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.763 -1.228 0.824 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.051 -0.106 0.868 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.220 1.081 0.815 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.432 -0.598 0.973 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.604 0.128 1.064 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.812 -0.579 1.152 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.795 -1.994 1.132 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.590 -2.721 1.038 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.409 -1.990 0.960 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.005 -2.468 0.841 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.053 -2.563 0.303 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -2.723 -2.486 0.505 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -2.164 -1.269 0.695 0.00 0.00 +0.131 A ATOM 14 C LIG 1 -2.931 -0.115 0.749 0.00 0.00 +0.052 A ATOM 15 C LIG 1 -4.312 -0.192 0.552 0.00 0.00 -0.011 A ATOM 16 C LIG 1 -4.875 -1.447 0.332 0.00 0.00 +0.052 A BRANCH 15 17 ATOM 17 C LIG 1 -5.140 1.024 0.554 0.00 0.00 -0.007 A ATOM 18 C LIG 1 -5.168 1.916 -0.542 0.00 0.00 +0.027 A ATOM 19 C LIG 1 -5.977 3.063 -0.490 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -6.746 3.337 0.641 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.719 2.467 1.727 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -5.925 1.319 1.683 0.00 0.00 +0.009 A BRANCH 18 23 ATOM 23 C LIG 1 -4.390 1.664 -1.751 0.00 0.00 +0.164 A ATOM 24 N LIG 1 -3.154 2.192 -2.031 0.00 0.00 -0.317 N ATOM 25 C LIG 1 -2.374 3.100 -1.234 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -2.785 1.681 -3.237 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -3.732 0.897 -3.692 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -4.743 0.885 -2.757 0.00 0.00 -0.129 NA ENDBRANCH 18 23 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 N LIG 1 -4.554 -3.850 0.084 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -3.726 -4.444 0.111 0.00 0.00 +0.147 HD BRANCH 29 32 ATOM 31 C LIG 1 -5.620 -5.456 -1.399 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -5.266 -3.992 -1.185 0.00 0.00 +0.099 C ENDBRANCH 29 32 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 2.574 -4.227 1.018 0.00 0.00 +0.418 C ATOM 34 F LIG 1 1.869 -4.749 2.058 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.000 -4.722 -0.112 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.813 -4.786 1.086 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 6 37 ATOM 37 C LIG 1 5.121 0.174 1.234 0.00 0.00 +0.116 C BRANCH 37 38 ATOM 38 N LIG 1 5.464 0.731 -0.074 0.00 0.00 -0.307 NA ATOM 39 H LIG 1 5.504 -0.035 -0.749 0.00 0.00 +0.123 HD BRANCH 38 40 ATOM 40 C LIG 1 6.761 1.420 -0.061 0.00 0.00 +0.082 C ATOM 41 C LIG 1 7.095 1.984 -1.456 0.00 0.00 +0.131 C ATOM 42 C LIG 1 8.184 3.016 -1.188 0.00 0.00 +0.033 C ATOM 43 C LIG 1 7.967 3.489 0.254 0.00 0.00 +0.004 C ATOM 44 C LIG 1 6.793 2.682 0.804 0.00 0.00 +0.021 C BRANCH 41 45 ATOM 45 O LIG 1 5.951 2.637 -2.011 0.00 0.00 -0.390 OA ATOM 46 H LIG 1 5.181 2.189 -1.603 0.00 0.00 +0.210 HD ENDBRANCH 41 45 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 10