REMARK Name = BDB024360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.833 -0.989 1.270 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.646 -2.306 2.010 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.990 -2.386 3.369 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.808 -3.572 4.083 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.274 -4.692 3.451 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.917 -4.627 2.107 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.095 -3.441 1.392 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.300 -0.358 0.274 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.054 -1.024 -0.404 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.531 -0.140 1.358 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.330 0.602 2.315 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -3.995 1.380 -0.507 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -3.227 1.717 0.599 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -2.020 1.170 0.883 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.535 0.243 0.040 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.230 -0.150 -1.101 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.472 0.425 -1.376 0.00 0.00 +0.013 A BRANCH 12 24 ATOM 18 C LIG 1 -6.834 -0.080 -0.975 0.00 0.00 +0.066 C ATOM 19 C LIG 1 -6.475 1.363 -0.959 0.00 0.00 +0.044 A ATOM 20 N LIG 1 -7.400 2.362 -1.151 0.00 0.00 -0.271 N ATOM 21 C LIG 1 -8.812 2.213 -1.422 0.00 0.00 +0.172 C ATOM 22 N LIG 1 -6.886 3.601 -1.046 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -5.593 3.389 -0.801 0.00 0.00 +0.143 A ATOM 24 C LIG 1 -5.270 2.016 -0.753 0.00 0.00 +0.024 A ENDBRANCH 12 24 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.215 -1.150 -0.169 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 2.231 -0.208 -0.573 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.568 -1.718 -0.344 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 4.751 -0.802 0.069 0.00 0.00 +0.030 C ATOM 29 C LIG 1 6.086 -1.512 -0.189 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 4.711 0.555 -0.623 0.00 0.00 -0.043 A ATOM 31 C LIG 1 4.526 1.719 0.140 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.465 2.973 -0.475 0.00 0.00 +0.019 A ATOM 33 C LIG 1 4.591 3.080 -1.862 0.00 0.00 +0.052 A ATOM 34 C LIG 1 4.773 1.928 -2.631 0.00 0.00 +0.019 A ATOM 35 C LIG 1 4.831 0.674 -2.016 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 4.533 4.366 -2.494 0.00 0.00 +0.099 C ATOM 37 N LIG 1 4.486 5.403 -3.014 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9