REMARK Name = BDB006469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.314 0.384 -1.213 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.892 -0.414 -0.138 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.513 -0.546 0.141 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.225 -1.262 1.135 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.571 -1.009 0.912 0.00 0.00 +0.020 A ATOM 6 N LIG 1 1.668 -0.181 -0.191 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.763 -1.504 1.659 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.338 -2.120 2.214 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.405 0.120 -0.673 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.005 0.906 -1.765 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.374 1.023 -2.022 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.632 0.446 -0.475 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -4.242 0.578 0.449 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -3.758 0.550 -1.538 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -4.106 0.802 -2.685 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -6.054 0.722 -0.627 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 C LIG 1 -6.720 0.923 0.727 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -7.606 1.997 0.910 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -8.233 2.205 2.141 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.988 1.341 3.204 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -7.117 0.266 3.039 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.489 0.058 1.810 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 16 24 ATOM 23 C LIG 1 -6.673 -1.766 -1.034 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -6.795 -0.318 -1.496 0.00 0.00 +0.024 C ENDBRANCH 16 24 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 2.920 0.351 -0.741 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.700 -0.656 -1.567 0.00 0.00 -0.020 A ATOM 27 C LIG 1 5.114 -0.715 -1.505 0.00 0.00 -0.013 A ATOM 28 C LIG 1 5.796 -1.649 -2.308 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.109 -2.500 -3.171 0.00 0.00 +0.001 A ATOM 30 C LIG 1 3.724 -2.427 -3.252 0.00 0.00 +0.000 A ATOM 31 C LIG 1 3.028 -1.511 -2.464 0.00 0.00 +0.006 A BRANCH 27 32 ATOM 32 C LIG 1 5.906 0.168 -0.637 0.00 0.00 -0.018 A ATOM 33 C LIG 1 6.399 -0.294 0.593 0.00 0.00 +0.009 A ATOM 34 C LIG 1 7.149 0.545 1.424 0.00 0.00 +0.015 A ATOM 35 C LIG 1 7.419 1.861 1.032 0.00 0.00 +0.059 A ATOM 36 C LIG 1 6.937 2.329 -0.196 0.00 0.00 +0.015 A ATOM 37 C LIG 1 6.188 1.487 -1.024 0.00 0.00 +0.009 A BRANCH 35 38 ATOM 38 C LIG 1 8.208 2.789 1.877 0.00 0.00 +0.337 C ATOM 39 O LIG 1 8.482 3.942 1.604 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 8.616 2.228 3.029 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 9.115 2.944 3.475 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 35 38 ENDBRANCH 27 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 9