REMARK Name = BDB024172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.987 -0.127 0.069 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.759 -1.625 0.239 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.495 -2.135 1.523 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.292 -3.501 1.725 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.361 -4.381 0.648 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.639 -3.897 -0.628 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.842 -2.530 -0.832 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.583 0.544 -1.846 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.593 0.870 -2.802 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.687 0.420 -1.360 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.591 0.773 -2.132 0.00 0.00 -0.273 OA BRANCH 8 17 ATOM 12 C LIG 1 -3.085 -0.643 2.068 0.00 0.00 +0.066 C ATOM 13 C LIG 1 -3.109 -0.271 0.612 0.00 0.00 +0.048 A ATOM 14 C LIG 1 -4.298 -0.174 -0.117 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -4.200 0.203 -1.458 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -2.950 0.447 -2.024 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -1.814 0.305 -1.238 0.00 0.00 +0.125 A ATOM 18 N LIG 1 -1.888 -0.033 0.057 0.00 0.00 -0.236 NA BRANCH 14 19 ATOM 19 C LIG 1 -5.599 -0.451 0.452 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -6.657 0.433 0.450 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -7.686 -0.207 1.079 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -9.007 0.314 1.336 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -7.376 -1.453 1.481 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -6.107 -1.602 1.093 0.00 0.00 +0.143 A ENDBRANCH 14 19 ENDBRANCH 8 17 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.345 0.307 0.530 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 2.459 1.277 0.227 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.458 -0.478 -0.022 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 4.832 0.154 0.327 0.00 0.00 +0.030 C ATOM 29 C LIG 1 5.967 -0.744 -0.180 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 5.024 1.572 -0.199 0.00 0.00 -0.043 A ATOM 31 C LIG 1 4.779 1.903 -1.540 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.961 3.212 -1.997 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.397 4.207 -1.119 0.00 0.00 +0.052 A ATOM 34 C LIG 1 5.652 3.887 0.217 0.00 0.00 +0.019 A ATOM 35 C LIG 1 5.467 2.579 0.672 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 5.582 5.549 -1.587 0.00 0.00 +0.099 C ATOM 37 N LIG 1 5.731 6.637 -1.964 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9