REMARK Name = BDB010096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.899 0.157 -0.596 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.673 0.820 -0.616 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.504 1.927 -1.433 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.736 2.468 -1.307 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.373 1.708 -0.437 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.444 2.421 -2.253 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.576 1.697 -2.206 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.569 0.648 -0.038 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.839 0.619 -1.443 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.754 1.928 -0.014 0.00 0.00 +0.018 A ATOM 11 C LIG 1 3.063 2.245 1.316 0.00 0.00 +0.015 A ATOM 12 C LIG 1 4.393 2.433 1.718 0.00 0.00 -0.050 A ATOM 13 C LIG 1 4.714 2.806 3.135 0.00 0.00 +0.044 C ATOM 14 C LIG 1 5.412 2.338 0.763 0.00 0.00 +0.003 A ATOM 15 C LIG 1 5.111 2.047 -0.568 0.00 0.00 +0.001 A ATOM 16 C LIG 1 3.786 1.847 -0.956 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 1 17 ATOM 17 N LIG 1 -2.175 -0.918 0.238 0.00 0.00 -0.327 N ATOM 18 H LIG 1 -1.826 -0.783 1.179 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -3.522 -1.494 0.210 0.00 0.00 +0.106 C BRANCH 19 20 ATOM 20 C LIG 1 -4.394 -1.006 1.388 0.00 0.00 +0.003 C ATOM 21 C LIG 1 -5.647 -1.886 1.474 0.00 0.00 +0.009 C BRANCH 20 23 ATOM 22 C LIG 1 -5.604 1.019 2.409 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -4.757 0.487 1.260 0.00 0.00 +0.001 C ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 7 24 ATOM 24 C LIG 1 -3.669 2.191 -3.115 0.00 0.00 +0.375 C ATOM 25 O LIG 1 -4.782 1.705 -3.226 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 -3.261 3.284 -3.821 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 -2.332 3.513 -3.580 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 1.017 -0.486 0.758 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 1.740 -1.516 -0.076 0.00 0.00 -0.028 A ATOM 30 C LIG 1 3.135 -1.639 -0.001 0.00 0.00 +0.006 A ATOM 31 C LIG 1 3.809 -2.583 -0.780 0.00 0.00 +0.013 A ATOM 32 C LIG 1 3.104 -3.423 -1.653 0.00 0.00 +0.055 A ATOM 33 C LIG 1 1.709 -3.310 -1.718 0.00 0.00 +0.013 A ATOM 34 C LIG 1 1.034 -2.366 -0.939 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 3.832 -4.456 -2.478 0.00 0.00 +0.417 C ATOM 36 F LIG 1 3.193 -4.763 -3.641 0.00 0.00 -0.166 F ATOM 37 F LIG 1 3.983 -5.634 -1.812 0.00 0.00 -0.166 F ATOM 38 F LIG 1 5.087 -4.066 -2.836 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 10