REMARK Name = BDB053532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.727 0.398 0.491 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -0.616 0.846 1.245 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.498 1.458 2.599 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.827 2.251 2.747 0.00 0.00 +0.043 C ATOM 5 C LIG 1 2.007 1.641 2.030 0.00 0.00 -0.001 A ATOM 6 C LIG 1 1.852 0.860 0.895 0.00 0.00 +0.097 A ATOM 7 N LIG 1 2.860 0.345 0.177 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 4.102 0.625 0.604 0.00 0.00 +0.220 A ATOM 9 N LIG 1 4.357 1.384 1.684 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 3.311 1.882 2.371 0.00 0.00 +0.120 A ATOM 11 C LIG 1 0.496 0.560 0.478 0.00 0.00 +0.091 A ATOM 12 N LIG 1 0.028 -0.017 -0.665 0.00 0.00 -0.264 N ATOM 13 C LIG 1 0.793 -0.493 -1.793 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -1.324 -0.113 -0.695 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 -3.948 -0.156 -0.106 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -3.432 -0.266 -0.975 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -3.158 0.453 0.855 0.00 0.00 +0.269 C ATOM 18 O LIG 1 -3.545 1.034 1.863 0.00 0.00 -0.268 OA BRANCH 15 20 ATOM 19 C LIG 1 -6.184 -0.482 0.897 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -5.353 -0.069 -0.170 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -5.932 0.380 -1.383 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -7.330 0.473 -1.488 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -8.148 0.122 -0.421 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.580 -0.358 0.755 0.00 0.00 +0.005 A BRANCH 19 26 ATOM 25 C LIG 1 -5.229 -2.614 1.848 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -5.688 -1.192 2.141 0.00 0.00 +0.033 C ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 C LIG 1 -5.111 0.792 -2.588 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -4.782 -0.392 -3.485 0.00 0.00 +0.009 C ENDBRANCH 21 27 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 8 29 ATOM 29 N LIG 1 5.122 0.072 -0.156 0.00 0.00 -0.281 N ATOM 30 H LIG 1 4.751 -0.480 -0.919 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 6.525 0.083 -0.098 0.00 0.00 +0.076 A ATOM 32 C LIG 1 7.240 -0.642 -1.084 0.00 0.00 +0.141 A ATOM 33 C LIG 1 8.639 -0.661 -1.072 0.00 0.00 +0.047 A ATOM 34 C LIG 1 9.341 0.034 -0.087 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.649 0.749 0.885 0.00 0.00 +0.002 A ATOM 36 C LIG 1 7.252 0.772 0.878 0.00 0.00 +0.027 A BRANCH 32 37 ATOM 37 O LIG 1 6.454 -1.292 -2.010 0.00 0.00 -0.493 OA ATOM 38 C LIG 1 7.126 -2.046 -3.012 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 7