REMARK Name = BDB004292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.762 0.455 0.661 0.00 0.00 +0.004 C ATOM 2 C LIG 1 0.440 -1.025 1.000 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -1.077 -0.686 0.888 0.00 0.00 -0.026 C ATOM 4 C LIG 1 -1.692 -0.988 -0.484 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -3.137 -0.480 -0.531 0.00 0.00 +0.107 C ATOM 6 N LIG 1 -3.917 -1.077 0.569 0.00 0.00 -0.315 N ATOM 7 C LIG 1 -3.364 -0.788 1.905 0.00 0.00 +0.107 C ATOM 8 C LIG 1 -1.929 -1.311 1.998 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -0.674 0.799 1.133 0.00 0.00 +0.011 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.284 -0.704 0.500 0.00 0.00 +0.121 A ATOM 11 N LIG 1 -5.679 0.282 -0.334 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 -6.984 0.644 -0.336 0.00 0.00 +0.117 A ATOM 13 C LIG 1 -7.970 0.059 0.451 0.00 0.00 -0.021 A ATOM 14 C LIG 1 -7.556 -0.984 1.280 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -6.215 -1.368 1.301 0.00 0.00 +0.044 A BRANCH 13 16 ATOM 16 C LIG 1 -9.427 0.499 0.430 0.00 0.00 +0.065 C ATOM 17 C LIG 1 -10.303 -0.148 -0.673 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -10.088 0.596 -1.995 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -10.477 1.972 -1.913 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -10.077 2.638 -0.786 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -10.221 4.027 -0.828 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -9.844 4.791 0.271 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -9.336 4.190 1.415 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -9.206 2.802 1.464 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -9.579 2.010 0.364 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -10.200 -1.661 -0.771 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -11.082 -2.460 -0.021 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -11.023 -3.853 -0.093 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -10.073 -4.468 -0.902 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -9.180 -3.693 -1.636 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -9.242 -2.299 -1.573 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -9.955 6.150 0.263 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -10.290 6.429 -0.606 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 1.839 1.174 1.470 0.00 0.00 +0.088 C BRANCH 34 38 ATOM 35 N LIG 1 5.644 0.205 -0.379 0.00 0.00 -0.327 N ATOM 36 C LIG 1 4.580 0.867 -1.147 0.00 0.00 +0.120 C ATOM 37 C LIG 1 3.583 1.627 -0.230 0.00 0.00 +0.103 C ATOM 38 N LIG 1 3.205 0.950 1.019 0.00 0.00 -0.299 NA ATOM 39 C LIG 1 3.713 -0.415 1.108 0.00 0.00 +0.103 C ATOM 40 C LIG 1 5.244 -0.445 0.884 0.00 0.00 +0.120 C BRANCH 35 47 ATOM 41 N LIG 1 11.521 -0.729 -0.998 0.00 0.00 -0.282 N ATOM 42 C LIG 1 10.895 -0.619 -2.234 0.00 0.00 +0.248 C ATOM 43 O LIG 1 11.402 -0.676 -3.339 0.00 0.00 -0.270 OA ATOM 44 C LIG 1 9.468 -0.408 -1.968 0.00 0.00 +0.042 A ATOM 45 C LIG 1 9.266 -0.498 -0.600 0.00 0.00 -0.016 A ATOM 46 C LIG 1 7.997 -0.320 -0.066 0.00 0.00 +0.029 A ATOM 47 C LIG 1 6.906 -0.025 -0.908 0.00 0.00 +0.030 A ATOM 48 C LIG 1 7.162 0.051 -2.301 0.00 0.00 +0.024 A ATOM 49 C LIG 1 8.441 -0.142 -2.845 0.00 0.00 +0.015 A ATOM 50 C LIG 1 10.553 -0.790 0.093 0.00 0.00 +0.144 C BRANCH 41 57 ATOM 51 O LIG 1 14.236 1.901 1.693 0.00 0.00 -0.275 OA ATOM 52 C LIG 1 14.042 1.006 0.875 0.00 0.00 +0.219 C ATOM 53 N LIG 1 13.997 -0.307 1.266 0.00 0.00 -0.255 N ATOM 54 H LIG 1 14.141 -0.460 2.256 0.00 0.00 +0.158 HD ATOM 55 C LIG 1 13.348 -1.326 0.609 0.00 0.00 +0.240 C ATOM 56 O LIG 1 12.994 -2.330 1.228 0.00 0.00 -0.273 OA ATOM 57 C LIG 1 12.941 -1.059 -0.849 0.00 0.00 +0.163 C ATOM 58 C LIG 1 13.855 0.031 -1.423 0.00 0.00 +0.041 C ATOM 59 C LIG 1 13.755 1.294 -0.580 0.00 0.00 +0.098 C ENDBRANCH 41 57 ENDBRANCH 35 47 ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8