REMARK Name = BDB061378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.612 5.336 0.106 0.00 0.00 +0.088 C ATOM 2 C LIG 1 -1.037 3.920 -0.135 0.00 0.00 +0.130 A ATOM 3 N LIG 1 -2.300 3.729 -0.557 0.00 0.00 -0.215 NA ATOM 4 C LIG 1 -2.590 2.429 -0.700 0.00 0.00 +0.144 A ATOM 5 C LIG 1 -1.753 1.350 -0.462 0.00 0.00 +0.066 A ATOM 6 C LIG 1 -2.521 0.172 -0.743 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -3.777 0.584 -1.154 0.00 0.00 +0.093 A ATOM 8 C LIG 1 -0.445 1.654 -0.037 0.00 0.00 +0.132 A ATOM 9 N LIG 1 -3.802 1.954 -1.117 0.00 0.00 -0.345 N ATOM 10 H LIG 1 -4.586 2.547 -1.347 0.00 0.00 +0.167 HD ATOM 11 N LIG 1 -0.122 2.960 0.127 0.00 0.00 -0.217 NA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -2.160 -1.229 -0.626 0.00 0.00 -0.011 A ATOM 13 C LIG 1 -1.694 -1.735 0.588 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -1.317 -3.066 0.657 0.00 0.00 +0.117 A ATOM 15 N LIG 1 -1.402 -3.904 -0.389 0.00 0.00 -0.241 NA ATOM 16 C LIG 1 -1.870 -3.398 -1.552 0.00 0.00 +0.113 A ATOM 17 C LIG 1 -2.256 -2.081 -1.722 0.00 0.00 +0.028 A BRANCH 14 18 ATOM 18 N LIG 1 -0.852 -3.609 1.852 0.00 0.00 -0.343 N ATOM 19 H LIG 1 -0.587 -4.571 1.659 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 -0.085 -3.068 2.233 0.00 0.00 +0.144 HD ENDBRANCH 14 18 ENDBRANCH 6 12 BRANCH 8 21 ATOM 21 N LIG 1 0.502 0.658 0.217 0.00 0.00 -0.324 N ATOM 22 H LIG 1 0.316 -0.155 -0.363 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.891 1.090 0.170 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 C LIG 1 2.787 -0.090 0.416 0.00 0.00 +0.040 A ATOM 25 C LIG 1 3.537 -0.204 1.587 0.00 0.00 +0.131 A ATOM 26 F LIG 1 3.482 0.759 2.517 0.00 0.00 -0.205 F ATOM 27 C LIG 1 4.361 -1.305 1.820 0.00 0.00 +0.039 A ATOM 28 C LIG 1 4.446 -2.323 0.871 0.00 0.00 +0.006 A ATOM 29 C LIG 1 3.707 -2.229 -0.306 0.00 0.00 +0.039 A ATOM 30 C LIG 1 2.890 -1.119 -0.522 0.00 0.00 +0.131 A ATOM 31 F LIG 1 2.183 -1.054 -1.660 0.00 0.00 -0.205 F ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 8 21 TORSDOF 5