REMARK Name = BDB024159 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.389 -0.515 0.201 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.841 -1.822 -0.381 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.165 -3.047 0.232 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.706 -4.258 -0.291 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.073 -4.269 -1.445 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.384 -3.071 -2.081 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.077 -1.859 -1.559 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.233 -0.442 1.746 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.041 -0.354 2.401 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.169 -0.412 3.401 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -2.241 -0.488 2.471 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.266 -0.222 1.940 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.526 0.011 0.645 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 2.828 0.120 0.268 0.00 0.00 +0.121 A ATOM 15 C LIG 1 3.913 0.042 1.134 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.614 -0.174 2.478 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.284 -0.304 2.885 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 5.284 0.170 0.678 0.00 0.00 +0.021 A ATOM 19 C LIG 1 5.689 0.811 -0.476 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.051 0.709 -0.517 0.00 0.00 -0.274 N ATOM 21 C LIG 1 7.933 1.226 -1.535 0.00 0.00 +0.172 C ATOM 22 N LIG 1 7.569 0.050 0.533 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.495 -0.277 1.257 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -0.883 0.711 -0.470 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 0.110 0.756 -0.202 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -1.549 1.953 -0.060 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.159 3.799 -0.685 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -2.786 2.328 -0.918 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.005 1.448 -0.685 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.604 1.338 0.580 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.713 0.510 0.773 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.243 -0.215 -0.297 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.659 -0.108 -1.561 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.549 0.718 -1.753 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.379 -1.066 -0.098 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.303 -1.752 0.060 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9