REMARK Name = BDB035498 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.070 0.510 0.543 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.138 0.500 1.247 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.369 0.487 2.442 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.216 0.499 0.249 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.583 0.495 0.453 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.424 0.491 -0.674 0.00 0.00 -0.027 A ATOM 7 C LIG 1 -2.843 0.494 -1.967 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -1.446 0.503 -2.157 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.646 0.503 -1.018 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.843 0.510 -0.897 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.844 0.512 0.765 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.514 0.512 0.274 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.377 0.521 1.103 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.590 0.540 2.482 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.881 0.546 3.010 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.988 0.531 2.162 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 6.087 0.475 -0.248 0.00 0.00 +0.055 C ATOM 18 C LIG 1 7.520 0.852 0.267 0.00 0.00 +0.019 C ATOM 19 C LIG 1 7.758 1.594 -1.060 0.00 0.00 +0.003 C ATOM 20 C LIG 1 6.231 1.730 -1.186 0.00 0.00 +0.019 C BRANCH 17 23 ATOM 21 C LIG 1 6.296 -2.558 0.843 0.00 0.00 +0.151 C ATOM 22 N LIG 1 6.170 -2.166 -0.533 0.00 0.00 -0.320 N ATOM 23 C LIG 1 6.078 -0.901 -1.047 0.00 0.00 +0.144 A ATOM 24 N LIG 1 5.936 -0.984 -2.354 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 5.950 -2.314 -2.701 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 6.088 -3.010 -1.597 0.00 0.00 +0.224 A ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 -0.837 0.506 -3.533 0.00 0.00 +0.418 C ATOM 28 F LIG 1 0.020 1.547 -3.717 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.113 -0.621 -3.774 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.752 0.588 -4.537 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 CA LIG 1 -4.950 0.500 -0.517 0.00 0.00 +0.110 C BRANCH 31 32 ATOM 32 N LIG 1 -5.338 -0.604 0.382 0.00 0.00 -0.302 NA ATOM 33 H LIG 1 -4.845 -1.443 0.071 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -6.784 -0.825 0.537 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -7.313 0.002 1.744 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -7.974 -1.289 2.268 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -6.931 -2.081 1.456 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.596 -0.884 -0.744 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 BRANCH 31 39 ATOM 39 C LIG 1 -5.408 1.914 -0.074 0.00 0.00 +0.179 C BRANCH 39 40 ATOM 40 O LIG 1 -5.183 2.883 -1.104 0.00 0.00 -0.393 OA ATOM 41 H LIG 1 -5.799 2.686 -1.829 0.00 0.00 +0.209 HD ENDBRANCH 39 40 ENDBRANCH 31 39 ENDBRANCH 6 31 TORSDOF 9