REMARK Name = BDB034293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.474 -0.273 0.646 0.00 0.00 -0.342 N ATOM 2 H LIG 1 0.601 0.658 1.035 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.698 -0.968 0.605 0.00 0.00 +0.038 A ATOM 4 C LIG 1 2.888 -0.286 0.212 0.00 0.00 +0.021 A ATOM 5 C LIG 1 4.090 -1.029 0.160 0.00 0.00 +0.073 A ATOM 6 C LIG 1 5.270 -0.391 -0.199 0.00 0.00 +0.040 A ATOM 7 C LIG 1 5.316 0.970 -0.536 0.00 0.00 +0.057 A ATOM 8 C LIG 1 4.132 1.707 -0.498 0.00 0.00 +0.013 A ATOM 9 N LIG 1 4.153 -2.338 0.435 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.007 -2.968 0.750 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.936 1.086 -0.136 0.00 0.00 +0.012 A ATOM 12 C LIG 1 1.778 -2.342 0.833 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 6.627 1.617 -0.901 0.00 0.00 +0.417 C ATOM 14 F LIG 1 7.340 1.995 0.196 0.00 0.00 -0.166 F ATOM 15 F LIG 1 7.446 0.799 -1.618 0.00 0.00 -0.166 F ATOM 16 F LIG 1 6.477 2.743 -1.654 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 17 ATOM 17 C LIG 1 -0.738 -0.911 1.164 0.00 0.00 +0.117 C BRANCH 17 18 ATOM 18 C LIG 1 -1.943 0.063 1.179 0.00 0.00 +0.103 C BRANCH 18 19 ATOM 19 N LIG 1 -2.476 0.598 -0.093 0.00 0.00 -0.295 NA BRANCH 19 20 ATOM 20 C LIG 1 -1.644 1.636 -0.722 0.00 0.00 +0.084 C BRANCH 20 22 ATOM 21 C LIG 1 -2.676 3.583 0.567 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -1.394 2.894 0.123 0.00 0.00 +0.012 C ENDBRANCH 20 22 ENDBRANCH 19 20 BRANCH 19 23 ATOM 23 C LIG 1 -2.780 -0.448 -1.084 0.00 0.00 +0.137 C BRANCH 23 24 ATOM 24 C LIG 1 -3.806 -1.426 -0.604 0.00 0.00 +0.030 A ATOM 25 N LIG 1 -3.626 -2.784 -0.729 0.00 0.00 -0.363 N ATOM 26 H LIG 1 -2.816 -3.230 -1.140 0.00 0.00 +0.165 HD ATOM 27 C LIG 1 -4.712 -3.443 -0.217 0.00 0.00 +0.083 A ATOM 28 C LIG 1 -5.612 -2.502 0.227 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -5.046 -1.230 -0.025 0.00 0.00 +0.024 A ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 9