REMARK Name = BDB014025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.609 -1.277 -1.007 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.512 -1.305 0.517 0.00 0.00 +0.240 C ATOM 3 O LIG 1 2.127 -0.502 1.225 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.604 -2.240 1.016 0.00 0.00 -0.265 N ATOM 5 C LIG 1 1.101 -3.579 1.173 0.00 0.00 +0.040 A ATOM 6 C LIG 1 1.678 -4.277 0.089 0.00 0.00 -0.026 A ATOM 7 C LIG 1 2.184 -5.577 0.299 0.00 0.00 +0.005 A ATOM 8 C LIG 1 2.121 -6.186 1.550 0.00 0.00 +0.000 A ATOM 9 C LIG 1 1.539 -5.510 2.611 0.00 0.00 +0.002 A ATOM 10 C LIG 1 1.681 -3.760 -1.333 0.00 0.00 +0.039 C ATOM 11 C LIG 1 1.032 -4.222 2.424 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.426 -2.446 -1.525 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 1.682 0.775 -2.376 0.00 0.00 +0.230 C ATOM 14 N LIG 1 2.213 0.005 -1.367 0.00 0.00 -0.303 N ATOM 15 H LIG 1 2.720 0.456 -0.612 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 0.901 0.306 -3.205 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 2.191 2.242 -2.460 0.00 0.00 +0.137 C ATOM 18 C LIG 1 2.456 2.902 -1.107 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -0.001 3.365 -2.647 0.00 0.00 +0.101 C ATOM 20 N LIG 1 1.267 3.048 -3.303 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 1.048 2.469 -4.120 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.324 -1.699 2.016 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -1.233 -0.628 1.403 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.057 0.774 1.649 0.00 0.00 -0.009 A ATOM 25 C LIG 1 -1.892 1.712 0.975 0.00 0.00 -0.003 A ATOM 26 C LIG 1 -1.701 3.104 1.205 0.00 0.00 +0.067 A ATOM 27 C LIG 1 -0.716 3.570 2.085 0.00 0.00 +0.015 A ATOM 28 C LIG 1 0.093 2.665 2.748 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -2.889 1.215 0.108 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -3.062 -0.148 -0.120 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -0.076 1.297 2.530 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.233 -1.069 0.505 0.00 0.00 +0.125 A BRANCH 26 33 ATOM 33 C LIG 1 -2.499 4.130 0.488 0.00 0.00 +0.340 C ATOM 34 O LIG 1 -2.706 4.134 -0.713 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.961 5.035 1.388 0.00 0.00 -0.464 OA ATOM 36 C LIG 1 -3.764 6.065 0.808 0.00 0.00 +0.280 C ENDBRANCH 33 35 ENDBRANCH 26 33 BRANCH 32 37 ATOM 37 O LIG 1 -2.348 -2.424 0.326 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -2.877 -2.851 -0.926 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8