REMARK Name = BDB034772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.315 -4.484 0.887 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -1.326 -3.185 0.280 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.198 -2.394 0.036 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -0.625 -1.194 -0.529 0.00 0.00 +0.072 A ATOM 5 C LIG 1 0.264 -0.194 -0.871 0.00 0.00 +0.051 A ATOM 6 C LIG 1 1.634 -0.415 -0.641 0.00 0.00 +0.033 A ATOM 7 C LIG 1 2.049 -1.639 -0.063 0.00 0.00 +0.025 A ATOM 8 N LIG 1 -2.022 -1.246 -0.643 0.00 0.00 -0.292 N ATOM 9 C LIG 1 1.134 -2.644 0.279 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -2.480 -2.476 -0.117 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -3.640 -2.840 -0.017 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 2.533 0.625 -0.957 0.00 0.00 -0.313 N ATOM 13 H LIG 1 2.301 1.087 -1.836 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 3.854 0.886 -0.532 0.00 0.00 +0.053 A ATOM 15 C LIG 1 4.777 1.491 -1.397 0.00 0.00 +0.080 A ATOM 16 CL LIG 1 4.343 1.951 -3.001 0.00 0.00 -0.080 Cl ATOM 17 C LIG 1 6.067 1.720 -0.945 0.00 0.00 +0.133 A ATOM 18 N LIG 1 6.502 1.397 0.296 0.00 0.00 -0.249 NA ATOM 19 C LIG 1 5.607 0.818 1.145 0.00 0.00 +0.145 A ATOM 20 C LIG 1 4.288 0.559 0.758 0.00 0.00 +0.057 A BRANCH 19 21 ATOM 21 C LIG 1 6.031 0.460 2.566 0.00 0.00 +0.434 C ATOM 22 F LIG 1 5.662 -0.809 2.912 0.00 0.00 -0.164 F ATOM 23 F LIG 1 7.374 0.526 2.785 0.00 0.00 -0.164 F ATOM 24 F LIG 1 5.457 1.273 3.499 0.00 0.00 -0.164 F ENDBRANCH 19 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 8 25 ATOM 25 C LIG 1 -2.876 -0.177 -1.101 0.00 0.00 +0.130 C BRANCH 25 26 ATOM 26 C LIG 1 -3.325 0.718 0.058 0.00 0.00 +0.056 C BRANCH 26 27 ATOM 27 C LIG 1 -4.099 1.972 -0.386 0.00 0.00 +0.062 C ATOM 28 C LIG 1 -4.518 2.791 0.840 0.00 0.00 +0.041 C ATOM 29 C LIG 1 -5.333 1.637 -1.226 0.00 0.00 +0.041 C BRANCH 27 30 ATOM 30 O LIG 1 -3.237 2.780 -1.192 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 -2.568 3.180 -0.611 0.00 0.00 +0.210 HD ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 7