REMARK Name = BDB006730 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.059 -0.581 0.058 0.00 0.00 -0.231 N ATOM 2 C LIG 1 2.397 0.638 0.315 0.00 0.00 +0.048 A ATOM 3 C LIG 1 3.058 1.939 0.586 0.00 0.00 +0.066 C ATOM 4 C LIG 1 1.061 0.320 0.333 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.290 0.884 0.535 0.00 0.00 +0.149 C ATOM 6 N LIG 1 -1.157 -0.330 0.464 0.00 0.00 -0.253 N ATOM 7 C LIG 1 -0.382 -1.512 0.222 0.00 0.00 +0.272 C ATOM 8 O LIG 1 -0.755 -2.671 0.121 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 0.987 -1.048 0.160 0.00 0.00 +0.154 A ATOM 10 N LIG 1 2.172 -1.626 0.024 0.00 0.00 -0.161 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.540 -0.303 0.644 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -3.335 -1.376 0.446 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.709 -1.276 0.628 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -5.349 -0.113 1.013 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -6.643 -0.328 1.096 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.874 -1.643 0.766 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -4.552 1.051 1.245 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -5.157 2.361 1.681 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.715 -2.207 0.487 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -5.496 -3.614 0.083 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -3.212 0.939 1.067 0.00 0.00 +0.032 A ENDBRANCH 6 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.480 1.906 -0.564 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -0.726 1.548 -1.899 0.00 0.00 +0.131 A ATOM 24 F LIG 1 -0.798 0.258 -2.249 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -0.892 2.505 -2.894 0.00 0.00 +0.077 A ATOM 26 C LIG 1 -0.809 3.847 -2.559 0.00 0.00 +0.126 A ATOM 27 F LIG 1 -0.965 4.777 -3.509 0.00 0.00 -0.205 F ATOM 28 C LIG 1 -0.562 4.244 -1.250 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -0.396 3.278 -0.254 0.00 0.00 +0.011 A ENDBRANCH 5 22 BRANCH 1 31 ATOM 30 C LIG 1 5.072 -1.989 0.116 0.00 0.00 +0.241 A ATOM 31 C LIG 1 4.430 -0.800 -0.233 0.00 0.00 +0.127 A ATOM 32 C LIG 1 5.170 0.160 -0.937 0.00 0.00 +0.034 A ATOM 33 C LIG 1 6.502 -0.090 -1.254 0.00 0.00 +0.022 A ATOM 34 C LIG 1 7.054 -1.293 -0.859 0.00 0.00 +0.115 A ATOM 35 N LIG 1 6.375 -2.238 -0.178 0.00 0.00 -0.220 NA BRANCH 30 37 ATOM 36 C LIG 1 5.026 -4.186 0.925 0.00 0.00 +0.279 C ATOM 37 O LIG 1 4.424 -2.897 0.924 0.00 0.00 -0.478 OA ENDBRANCH 30 37 ENDBRANCH 1 31 TORSDOF 4