REMARK Name = BDB035701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.873 -0.056 -1.611 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.234 0.043 -0.370 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.646 -0.119 0.763 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.165 0.402 -0.635 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.186 0.615 0.273 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.451 0.948 -0.230 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.638 1.056 -1.630 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.587 0.835 -2.540 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.344 0.504 -2.008 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.055 0.208 -2.703 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.494 -0.910 -1.014 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.139 -0.591 -0.785 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.240 -0.376 -1.840 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.735 -0.488 -3.149 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.072 -0.811 -3.395 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.947 -1.025 -2.335 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.465 -1.145 0.142 0.00 0.00 +0.092 C BRANCH 17 20 ATOM 18 C LIG 1 -6.349 1.775 -0.458 0.00 0.00 +0.150 C ATOM 19 N LIG 1 -5.896 1.285 0.821 0.00 0.00 -0.337 N ATOM 20 C LIG 1 -5.494 0.002 1.128 0.00 0.00 +0.117 A ATOM 21 N LIG 1 -5.173 -0.076 2.408 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 -5.338 1.181 2.922 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -5.788 2.043 1.954 0.00 0.00 +0.106 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.091 -2.458 0.841 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -6.166 -3.015 1.790 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -6.546 -4.026 0.821 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -5.349 -3.752 0.055 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.791 0.941 -4.027 0.00 0.00 +0.418 C ATOM 29 F LIG 1 4.047 1.314 -4.390 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.544 -0.236 -4.665 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.949 1.849 -4.595 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.612 1.189 0.712 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.657 0.188 0.497 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.264 -0.735 0.685 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 6.877 0.476 1.264 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.996 -0.441 0.683 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.915 0.800 0.676 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.639 1.666 0.616 0.00 0.00 +0.022 C ATOM 39 C LIG 1 6.714 0.429 2.772 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8