REMARK Name = BDB006319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.005 -0.008 -0.300 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.453 -1.226 0.123 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.148 -1.257 0.664 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.319 -2.305 1.173 0.00 0.00 -0.022 A ATOM 5 C LIG 1 0.874 -1.727 1.583 0.00 0.00 +0.020 A ATOM 6 N LIG 1 0.803 -0.373 1.311 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.075 -2.371 2.191 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.671 -3.749 1.258 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.428 -0.063 0.756 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.963 1.160 0.316 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -2.256 1.166 -0.216 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -5.282 -0.864 -0.412 0.00 0.00 -0.307 N ATOM 13 H LIG 1 -5.049 -1.400 0.411 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 -4.378 0.071 -0.870 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -4.664 0.955 -1.671 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -6.679 -0.802 -0.779 0.00 0.00 +0.139 C BRANCH 16 20 ATOM 17 C LIG 1 -8.929 1.165 2.304 0.00 0.00 +0.126 A ATOM 18 C LIG 1 -8.242 1.931 1.367 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -7.519 1.286 0.364 0.00 0.00 +0.008 A ATOM 20 C LIG 1 -7.487 -0.117 0.296 0.00 0.00 -0.030 A ATOM 21 C LIG 1 -8.182 -0.867 1.258 0.00 0.00 +0.008 A ATOM 22 C LIG 1 -8.908 -0.227 2.263 0.00 0.00 +0.042 A BRANCH 17 24 ATOM 23 C LIG 1 -10.257 2.338 4.152 0.00 0.00 +0.135 C ATOM 24 N LIG 1 -9.649 1.802 3.306 0.00 0.00 -0.350 NA ENDBRANCH 17 24 ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 1.849 0.607 1.610 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.000 0.562 0.632 0.00 0.00 -0.028 A ATOM 27 C LIG 1 4.316 0.480 1.106 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.396 0.462 0.216 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.189 0.539 -1.169 0.00 0.00 -0.017 A ATOM 30 C LIG 1 3.872 0.630 -1.638 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.791 0.648 -0.750 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.324 0.508 -2.106 0.00 0.00 -0.004 A ATOM 33 C LIG 1 7.304 1.518 -2.171 0.00 0.00 +0.067 A ATOM 34 C LIG 1 8.411 1.398 -3.026 0.00 0.00 +0.015 A ATOM 35 C LIG 1 8.538 0.285 -3.855 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.567 -0.712 -3.826 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.476 -0.603 -2.958 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 7.243 2.741 -1.348 0.00 0.00 +0.337 C ATOM 39 O LIG 1 8.147 3.184 -0.666 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 6.077 3.390 -1.504 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 6.160 4.181 -0.934 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9