REMARK Name = BDB027489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.688 -0.235 -0.125 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.508 -0.146 0.602 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.540 -0.821 1.829 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.465 -1.561 2.355 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.602 -1.659 1.637 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.733 -1.028 0.400 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.672 -2.477 2.244 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.351 -3.598 3.033 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -3.351 -4.377 3.611 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -3.011 -5.442 4.350 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.687 -4.057 3.421 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.649 -4.808 3.976 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.040 -2.953 2.657 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.038 -2.167 2.074 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.636 0.566 0.207 0.00 0.00 -0.322 N ATOM 16 C LIG 1 2.415 0.098 -0.966 0.00 0.00 +0.116 C ATOM 17 C LIG 1 2.987 1.320 -1.761 0.00 0.00 +0.073 C ATOM 18 C LIG 1 3.736 2.312 -0.856 0.00 0.00 +0.022 C ATOM 19 C LIG 1 3.088 2.491 0.519 0.00 0.00 +0.020 C ATOM 20 C LIG 1 1.651 1.986 0.562 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 N LIG 1 3.849 0.989 -2.901 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 3.454 0.208 -3.425 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 3.912 1.782 -3.537 0.00 0.00 +0.119 HD ENDBRANCH 17 21 BRANCH 16 24 ATOM 24 C LIG 1 3.515 -0.890 -0.510 0.00 0.00 +0.184 C BRANCH 24 25 ATOM 25 O LIG 1 3.863 -1.760 -1.597 0.00 0.00 -0.372 OA BRANCH 25 26 ATOM 26 C LIG 1 5.104 -2.452 -1.396 0.00 0.00 +0.231 C BRANCH 26 27 ATOM 27 C LIG 1 5.132 -3.416 -0.211 0.00 0.00 +0.366 C ATOM 28 F LIG 1 4.056 -4.238 -0.234 0.00 0.00 -0.207 F ATOM 29 F LIG 1 5.092 -2.735 0.962 0.00 0.00 -0.207 F ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 16 24 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -0.874 0.448 -1.460 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -4.345 3.791 -0.933 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -3.759 2.604 -1.403 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -4.225 1.594 -2.222 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -3.220 0.750 -2.319 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -2.143 1.149 -1.570 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.462 2.345 -0.989 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -1.698 3.105 -0.188 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -2.370 4.203 0.214 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -3.628 4.580 -0.101 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -5.634 4.187 -1.264 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -6.024 4.829 -0.587 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -6.221 3.427 -1.590 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 10