REMARK Name = BDB038602 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.543 -1.013 0.859 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.117 -0.996 2.087 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.463 -0.873 2.207 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.264 -0.786 1.071 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.691 -0.785 -0.205 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.301 -0.906 -0.296 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.435 -1.533 0.204 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.228 -1.484 -0.511 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.052 -1.357 0.207 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.672 -1.275 -0.292 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.143 -1.144 0.824 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.612 -1.157 2.065 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.402 -1.337 -1.477 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.023 -1.287 1.595 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.197 -1.343 2.322 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.402 -1.468 1.619 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.755 -1.668 -0.530 0.00 0.00 +0.119 C BRANCH 17 21 ATOM 18 C LIG 1 9.378 0.710 -0.009 0.00 0.00 +0.009 C ATOM 19 C LIG 1 7.993 1.355 -0.103 0.00 0.00 +0.000 C ATOM 20 C LIG 1 6.876 0.369 0.302 0.00 0.00 +0.088 C ATOM 21 N LIG 1 6.462 -0.425 -0.848 0.00 0.00 -0.298 NA ATOM 22 C LIG 1 5.832 0.377 -1.901 0.00 0.00 +0.085 C ATOM 23 C LIG 1 6.319 1.834 -1.933 0.00 0.00 +0.016 C ATOM 24 C LIG 1 7.779 1.936 -1.514 0.00 0.00 +0.006 C ENDBRANCH 17 21 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -4.520 -0.667 -1.421 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.326 0.462 -1.703 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -6.079 0.504 -2.893 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -6.053 -0.562 -3.797 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.268 -1.681 -3.522 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -4.509 -1.729 -2.350 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -5.371 1.623 -0.811 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -6.478 2.075 -0.131 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -7.798 1.503 -0.117 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -6.078 3.168 0.575 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -4.804 3.386 0.357 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -4.357 2.413 -0.507 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -6.833 -0.505 -4.998 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.483 -0.457 -5.958 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -4.012 -0.829 3.620 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -5.480 -0.889 3.965 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.740 0.410 4.089 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 7