REMARK Name = BDB034274 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.088 -0.076 1.611 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -4.879 -1.106 0.682 0.00 0.00 +0.040 A ATOM 3 C LIG 1 -3.894 -1.041 -0.294 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -3.046 0.091 -0.354 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -2.029 0.113 -1.356 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -1.998 -0.943 -2.269 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.879 -1.997 -2.117 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -3.266 1.133 0.582 0.00 0.00 +0.012 A ATOM 9 N LIG 1 -3.806 -2.068 -1.146 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -4.266 1.049 1.552 0.00 0.00 +0.013 A ENDROOT BRANCH 1 12 ATOM 11 F LIG 1 -5.739 -0.918 3.744 0.00 0.00 -0.166 F ATOM 12 C LIG 1 -6.160 -0.207 2.662 0.00 0.00 +0.417 C ATOM 13 F LIG 1 -7.279 -0.836 2.210 0.00 0.00 -0.166 F ATOM 14 F LIG 1 -6.582 0.995 3.148 0.00 0.00 -0.166 F ENDBRANCH 1 12 BRANCH 5 15 ATOM 15 N LIG 1 -1.179 1.225 -1.477 0.00 0.00 -0.343 N ATOM 16 H LIG 1 -0.992 1.663 -0.581 0.00 0.00 +0.146 HD BRANCH 15 17 ATOM 17 C LIG 1 -0.025 1.253 -2.373 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 C LIG 1 1.150 0.410 -1.871 0.00 0.00 +0.034 C BRANCH 18 19 ATOM 19 C LIG 1 1.778 0.976 -0.595 0.00 0.00 +0.083 C BRANCH 19 20 ATOM 20 N LIG 1 2.943 0.178 -0.222 0.00 0.00 -0.311 NA ATOM 21 H LIG 1 3.640 0.186 -0.964 0.00 0.00 +0.122 HD BRANCH 20 22 ATOM 22 C LIG 1 3.552 0.659 1.012 0.00 0.00 +0.134 C BRANCH 22 23 ATOM 23 C LIG 1 4.784 -0.131 1.292 0.00 0.00 +0.030 A ATOM 24 N LIG 1 6.034 0.443 1.312 0.00 0.00 -0.363 N ATOM 25 H LIG 1 6.232 1.419 1.139 0.00 0.00 +0.165 HD ATOM 26 C LIG 1 6.976 -0.509 1.602 0.00 0.00 +0.083 A ATOM 27 C LIG 1 6.328 -1.711 1.772 0.00 0.00 +0.019 A ATOM 28 C LIG 1 4.947 -1.474 1.578 0.00 0.00 +0.024 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 5 15 TORSDOF 8