REMARK Name = BDB027127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.133 -0.968 -0.832 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.307 -0.150 -1.739 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 4.095 0.315 -1.076 0.00 0.00 +0.039 A ATOM 4 C LIG 1 3.819 -0.667 -0.110 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.486 -1.077 0.039 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.439 -0.558 -0.726 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.224 -1.202 -0.302 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.586 -2.088 0.700 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.748 0.415 -1.701 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.941 -2.013 0.885 0.00 0.00 -0.360 N ATOM 11 H LIG 1 2.471 -2.566 1.545 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.073 0.837 -1.871 0.00 0.00 +0.014 A BRANCH 3 15 ATOM 13 N LIG 1 6.303 0.829 -0.189 0.00 0.00 -0.309 N ATOM 14 H LIG 1 5.863 0.762 0.719 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 5.483 0.805 -1.301 0.00 0.00 +0.244 C ATOM 16 O LIG 1 5.832 1.188 -2.411 0.00 0.00 -0.270 OA BRANCH 13 18 ATOM 17 C LIG 1 7.556 2.939 -0.120 0.00 0.00 +0.027 C ATOM 18 C LIG 1 7.634 1.419 -0.246 0.00 0.00 +0.067 C ATOM 19 C LIG 1 8.511 0.830 0.854 0.00 0.00 +0.027 C ENDBRANCH 13 18 ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.318 -1.775 -0.215 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.370 -3.192 -0.775 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -2.390 -3.421 -2.161 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -2.448 -4.720 -2.666 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.498 -5.806 -1.794 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.498 -5.594 -0.417 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.439 -4.295 0.091 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.628 -1.114 -0.449 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -4.371 -1.768 -0.204 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.777 0.118 0.329 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -5.109 0.801 -0.010 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -5.298 2.075 0.780 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -6.040 2.073 1.969 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.197 3.250 2.705 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.611 4.439 2.262 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -4.867 4.447 1.079 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -4.710 3.270 0.343 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -5.772 5.646 3.020 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -5.901 6.619 3.638 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 10