REMARK Name = BDB053019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.010 -1.274 -1.861 0.00 0.00 +0.142 A ATOM 2 C LIG 1 -0.356 -0.690 -0.590 0.00 0.00 +0.113 A ATOM 3 C LIG 1 0.284 -0.411 0.599 0.00 0.00 +0.100 A ATOM 4 N LIG 1 -0.607 0.092 1.518 0.00 0.00 -0.231 NA ATOM 5 C LIG 1 -1.764 0.189 0.891 0.00 0.00 +0.118 A ATOM 6 N LIG 1 -1.659 -0.268 -0.406 0.00 0.00 -0.298 N ATOM 7 C LIG 1 -2.566 -0.365 -1.446 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -2.152 -0.891 -2.608 0.00 0.00 +0.131 A ATOM 9 N LIG 1 -0.876 -1.361 -2.827 0.00 0.00 -0.237 NA ENDROOT BRANCH 3 10 ATOM 10 C LIG 1 1.677 -0.619 0.938 0.00 0.00 +0.005 A ATOM 11 C LIG 1 2.709 -0.141 0.120 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.046 -0.326 0.446 0.00 0.00 +0.072 A ATOM 13 C LIG 1 4.357 -0.996 1.645 0.00 0.00 +0.000 A ATOM 14 C LIG 1 5.707 -1.171 1.964 0.00 0.00 +0.012 A ATOM 15 C LIG 1 6.688 -0.693 1.100 0.00 0.00 +0.029 A ATOM 16 C LIG 1 6.306 -0.050 -0.074 0.00 0.00 +0.072 A ATOM 17 C LIG 1 3.333 -1.459 2.486 0.00 0.00 +0.010 A ATOM 18 N LIG 1 4.996 0.133 -0.387 0.00 0.00 -0.247 NA ATOM 19 C LIG 1 1.999 -1.266 2.133 0.00 0.00 +0.011 A BRANCH 16 20 ATOM 20 C LIG 1 7.278 0.488 -1.051 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.538 -0.103 -1.259 0.00 0.00 +0.010 A ATOM 22 C LIG 1 9.446 0.424 -2.185 0.00 0.00 +0.001 A ATOM 23 C LIG 1 9.111 1.552 -2.927 0.00 0.00 +0.000 A ATOM 24 C LIG 1 7.869 2.151 -2.749 0.00 0.00 +0.001 A ATOM 25 C LIG 1 6.964 1.622 -1.823 0.00 0.00 +0.010 A ENDBRANCH 16 20 ENDBRANCH 3 10 BRANCH 5 26 ATOM 26 C LIG 1 -3.013 0.759 1.635 0.00 0.00 +0.056 C ATOM 27 C LIG 1 -4.313 -0.067 1.571 0.00 0.00 +0.016 C ATOM 28 C LIG 1 -5.085 1.282 1.498 0.00 0.00 +0.004 C ATOM 29 C LIG 1 -3.774 1.912 0.950 0.00 0.00 +0.016 C BRANCH 28 30 ATOM 30 C LIG 1 -6.292 1.379 0.569 0.00 0.00 +0.088 C BRANCH 30 31 ATOM 31 N LIG 1 -7.456 0.722 1.171 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 -7.466 -0.741 0.897 0.00 0.00 +0.085 C ATOM 33 C LIG 1 -8.978 -0.609 0.633 0.00 0.00 +0.031 C ATOM 34 C LIG 1 -8.640 0.851 0.278 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 5 26 BRANCH 1 35 ATOM 35 N LIG 1 1.241 -1.789 -2.146 0.00 0.00 -0.341 N ATOM 36 H LIG 1 1.739 -2.213 -1.374 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 1.226 -2.367 -2.979 0.00 0.00 +0.144 HD ENDBRANCH 1 35 TORSDOF 6