REMARK Name = BDB010307 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.226 -0.937 -0.826 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.840 -0.791 -0.797 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.077 -1.174 -1.887 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.252 -1.001 -1.662 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.349 -0.566 -0.427 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.579 -1.664 -3.031 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.921 -1.740 -2.991 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.092 -0.264 0.073 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.742 -1.411 -1.974 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.493 -0.327 0.267 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -3.688 0.139 -0.469 0.00 0.00 +0.106 C ATOM 12 C LIG 1 -4.233 1.284 0.421 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -4.380 0.897 1.903 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -4.034 -0.560 2.204 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -2.739 -1.029 1.532 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 -4.694 -0.963 -0.838 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -6.083 -0.732 -0.855 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -6.987 -1.735 -1.225 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.525 -2.989 -1.605 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.157 -3.238 -1.623 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.256 -2.235 -1.252 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 3.040 -0.621 0.242 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.580 -0.668 1.140 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 5.275 -0.477 -0.896 0.00 0.00 +0.028 C ATOM 25 C LIG 1 4.469 -0.941 0.316 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 4.799 -2.393 0.675 0.00 0.00 +0.009 C ATOM 27 C LIG 1 4.125 -3.010 1.936 0.00 0.00 +0.005 C ATOM 28 C LIG 1 4.267 -4.381 1.242 0.00 0.00 +0.001 C ATOM 29 C LIG 1 4.235 -3.620 -0.101 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 2.551 -2.273 -4.250 0.00 0.00 +0.375 C ATOM 31 O LIG 1 3.742 -2.456 -4.436 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 1.602 -2.539 -5.194 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 0.706 -2.326 -4.839 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 0.188 0.636 1.180 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.824 1.978 0.763 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.281 2.748 2.012 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.886 4.104 1.653 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.917 4.955 0.824 0.00 0.00 -0.014 C ATOM 39 C LIG 1 1.562 6.284 0.434 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.456 4.192 -0.423 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.148 2.835 -0.065 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9