REMARK Name = BDB006364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.488 0.416 -3.810 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.106 -0.156 -2.488 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.837 -0.032 -1.267 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.124 -0.708 -0.274 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.578 -0.761 1.057 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.783 -0.128 1.377 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.522 0.538 0.398 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.012 -1.227 -0.873 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.050 0.603 -0.920 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.026 -0.911 -2.219 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.121 -1.330 -3.142 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.810 1.214 0.715 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.557 0.647 1.729 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.327 -0.296 2.006 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.169 2.193 0.070 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.911 1.099 2.008 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.164 1.084 3.517 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.901 0.265 1.205 0.00 0.00 -0.027 A ATOM 19 C LIG 1 7.294 0.718 -0.068 0.00 0.00 +0.007 A ATOM 20 C LIG 1 8.178 -0.022 -0.857 0.00 0.00 +0.033 A ATOM 21 C LIG 1 8.672 -1.238 -0.377 0.00 0.00 +0.126 A ATOM 22 C LIG 1 8.282 -1.717 0.880 0.00 0.00 +0.033 A ATOM 23 C LIG 1 7.396 -0.968 1.661 0.00 0.00 +0.007 A BRANCH 21 24 ATOM 24 N LIG 1 9.599 -2.025 -1.200 0.00 0.00 +0.056 N ATOM 25 O LIG 1 9.940 -1.557 -2.295 0.00 0.00 -0.126 OA ATOM 26 O LIG 1 9.989 -3.112 -0.749 0.00 0.00 -0.126 OA ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.018 -2.038 -0.185 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.302 -1.289 0.084 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -3.306 -0.035 0.711 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.508 0.630 0.970 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.739 0.059 0.617 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.733 -1.204 0.007 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.532 -1.871 -0.253 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.003 0.759 0.889 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -7.840 1.265 -0.126 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -9.077 1.851 0.182 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -9.482 1.973 1.510 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.658 1.504 2.529 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.434 0.901 2.222 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.480 1.199 -1.555 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -8.184 0.763 -2.446 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -6.290 1.774 -1.792 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -6.158 1.688 -2.757 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9