REMARK Name = BDB035511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.310 0.091 0.938 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.840 0.027 1.732 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.987 -0.220 2.915 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.981 0.330 0.860 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.325 0.384 1.185 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.234 0.696 0.166 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.756 0.933 -1.147 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.385 0.874 -1.461 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.507 0.569 -0.424 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.019 0.432 -0.442 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.076 -0.236 0.815 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.717 -0.038 0.457 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.647 -0.133 1.366 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.957 -0.450 2.689 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.278 -0.658 3.085 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.318 -0.551 2.162 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.239 -0.094 -0.293 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -6.705 -0.529 0.040 0.00 0.00 +0.035 C ATOM 19 C LIG 1 -6.353 -1.933 -0.506 0.00 0.00 +0.068 C ATOM 20 C LIG 1 -5.283 -1.238 -1.375 0.00 0.00 +0.035 C BRANCH 17 23 ATOM 21 C LIG 1 -5.962 2.761 0.992 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.495 2.539 -0.348 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.179 1.346 -0.939 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.750 1.575 -2.162 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -4.801 2.931 -2.381 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -5.249 3.495 -1.284 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 S LIG 1 -7.747 -2.819 -1.419 0.00 0.00 -0.043 S ATOM 28 O LIG 1 -8.886 -3.209 -0.279 0.00 0.00 -0.162 OA ATOM 29 C LIG 1 -6.760 -4.301 -1.734 0.00 0.00 +0.107 C ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.881 1.126 -2.856 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.033 2.189 -2.910 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.179 0.067 -3.347 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.864 1.380 -3.761 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.722 0.754 0.452 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.383 -0.406 -0.139 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.911 -1.246 0.196 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.852 -0.496 -0.038 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.571 0.812 -0.430 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.773 1.129 1.066 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.360 -0.317 1.410 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.352 -1.741 -0.755 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8