REMARK Name = BDB028119 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.248 2.302 0.098 0.00 0.00 +0.046 C ATOM 2 C LIG 1 3.745 2.256 0.112 0.00 0.00 -0.017 A ATOM 3 C LIG 1 2.999 3.458 0.035 0.00 0.00 +0.116 A ATOM 4 N LIG 1 3.415 4.767 -0.000 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 2.343 5.548 -0.051 0.00 0.00 -0.065 NA ATOM 6 N LIG 1 1.264 4.748 -0.059 0.00 0.00 -0.244 N ATOM 7 C LIG 1 -0.073 5.296 -0.168 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -0.904 5.094 1.105 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -2.412 5.009 0.844 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -2.816 3.724 0.108 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -4.335 3.602 -0.034 0.00 0.00 +0.005 C ATOM 12 C LIG 1 -4.752 2.546 -1.062 0.00 0.00 +0.035 C ATOM 13 C LIG 1 -4.469 1.114 -0.670 0.00 0.00 -0.047 A ATOM 14 C LIG 1 -3.361 0.432 -1.203 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -3.202 -0.913 -0.908 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -2.205 -1.853 -1.393 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -2.531 -3.062 -0.904 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -3.768 -3.058 -0.041 0.00 0.00 +0.052 C ATOM 19 C LIG 1 -3.508 -3.546 1.378 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -1.899 -4.304 -1.375 0.00 0.00 +0.244 C ATOM 21 N LIG 1 -0.641 -4.613 -0.899 0.00 0.00 -0.293 N ATOM 22 C LIG 1 0.099 -3.863 0.108 0.00 0.00 +0.143 C ATOM 23 C LIG 1 1.332 -3.219 -0.484 0.00 0.00 -0.027 A ATOM 24 C LIG 1 1.861 -3.642 -1.716 0.00 0.00 -0.041 A ATOM 25 C LIG 1 2.976 -2.980 -2.239 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.568 -1.923 -1.540 0.00 0.00 +0.004 A ATOM 27 C LIG 1 3.080 -1.513 -0.288 0.00 0.00 -0.039 A ATOM 28 C LIG 1 3.732 -0.321 0.426 0.00 0.00 +0.063 C ATOM 29 C LIG 1 1.189 -4.747 -2.506 0.00 0.00 +0.054 C ATOM 30 C LIG 1 1.969 -2.194 0.231 0.00 0.00 +0.009 A ATOM 31 C LIG 1 0.186 -5.541 -1.658 0.00 0.00 +0.113 C ATOM 32 O LIG 1 -2.502 -4.994 -2.194 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 -4.123 -1.591 -0.096 0.00 0.00 -0.033 A ATOM 34 C LIG 1 -5.197 -0.927 0.473 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.362 0.432 0.185 0.00 0.00 +0.004 A ATOM 36 C LIG 1 1.614 3.424 -0.006 0.00 0.00 +0.089 A ATOM 37 C LIG 1 0.878 2.248 0.011 0.00 0.00 +0.030 A ATOM 38 C LIG 1 1.604 1.065 0.132 0.00 0.00 +0.007 A ATOM 39 C LIG 1 3.015 1.028 0.196 0.00 0.00 -0.034 A ENDROOT BRANCH 28 40 ATOM 40 C LIG 1 4.122 -0.529 1.921 0.00 0.00 +0.106 C ATOM 41 C LIG 1 5.023 -1.757 2.113 0.00 0.00 +0.020 C BRANCH 40 42 ATOM 42 C LIG 1 2.960 -0.584 2.899 0.00 0.00 +0.308 C ATOM 43 O LIG 1 2.510 -1.610 3.388 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 2.457 0.626 3.229 0.00 0.00 -0.480 OA ATOM 45 H LIG 1 2.868 1.385 2.769 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 40 42 ENDBRANCH 28 40 TORSDOF 3