REMARK Name = BDB025736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.764 -0.945 0.700 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.251 0.341 0.402 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.119 0.529 0.191 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.021 -0.549 0.263 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.492 -1.815 0.560 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.298 -2.887 0.630 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.871 -2.017 0.775 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.855 -3.424 -1.675 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.830 -3.096 -0.576 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.977 -3.869 0.685 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.656 -5.150 0.582 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.502 -3.041 1.777 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.578 -1.840 2.083 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.167 -1.088 0.870 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.826 -1.543 -0.380 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.465 -0.341 0.036 0.00 0.00 -0.015 A ATOM 17 C LIG 1 2.929 0.408 -1.054 0.00 0.00 +0.010 A ATOM 18 C LIG 1 4.301 0.617 -1.270 0.00 0.00 +0.024 A ATOM 19 C LIG 1 5.268 0.096 -0.402 0.00 0.00 +0.030 A ATOM 20 C LIG 1 4.798 -0.667 0.678 0.00 0.00 +0.024 A ATOM 21 C LIG 1 3.429 -0.879 0.897 0.00 0.00 +0.010 A BRANCH 19 22 ATOM 22 N LIG 1 6.649 0.270 -0.578 0.00 0.00 -0.326 N ATOM 23 C LIG 1 7.316 0.952 0.559 0.00 0.00 +0.133 C ATOM 24 C LIG 1 8.843 0.880 0.393 0.00 0.00 +0.178 C ATOM 25 O LIG 1 9.270 1.425 -0.866 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.658 0.701 -1.946 0.00 0.00 +0.178 C ATOM 27 C LIG 1 7.125 0.788 -1.879 0.00 0.00 +0.133 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -2.211 1.374 0.363 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -3.134 1.026 0.597 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -2.042 2.702 0.046 0.00 0.00 +0.251 C ATOM 31 O LIG 1 -0.986 3.220 -0.301 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.265 3.494 0.135 0.00 0.00 +0.074 A ATOM 33 C LIG 1 -3.371 4.836 -0.190 0.00 0.00 +0.121 A ATOM 34 N LIG 1 -4.666 5.193 0.030 0.00 0.00 -0.274 N ATOM 35 C LIG 1 -5.254 6.496 -0.166 0.00 0.00 +0.172 C ATOM 36 N LIG 1 -5.429 4.180 0.477 0.00 0.00 -0.179 NA ATOM 37 C LIG 1 -4.576 3.154 0.546 0.00 0.00 +0.147 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5