REMARK Name = BDB053399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.395 -1.127 -2.600 0.00 0.00 +0.121 C ATOM 2 C LIG 1 0.878 -0.637 -1.966 0.00 0.00 -0.021 A ATOM 3 C LIG 1 0.904 0.760 -1.910 0.00 0.00 -0.042 A ATOM 4 C LIG 1 1.947 1.428 -1.291 0.00 0.00 +0.012 A ATOM 5 C LIG 1 2.990 0.679 -0.720 0.00 0.00 -0.017 A ATOM 6 C LIG 1 2.978 -0.729 -0.829 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.342 1.359 -2.483 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.917 -1.394 -1.446 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -0.988 0.165 -3.202 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.820 -3.080 -1.850 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -1.267 -1.822 -1.668 0.00 0.00 -0.305 N ATOM 12 C LIG 1 -1.707 -1.355 -0.451 0.00 0.00 +0.161 A ATOM 13 C LIG 1 -2.488 -2.379 0.067 0.00 0.00 +0.111 A ATOM 14 C LIG 1 -3.079 -2.200 1.327 0.00 0.00 -0.020 A ATOM 15 C LIG 1 -2.833 -0.966 1.951 0.00 0.00 +0.029 A ATOM 16 C LIG 1 -2.037 0.000 1.326 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.935 -3.229 1.998 0.00 0.00 +0.046 C ATOM 18 N LIG 1 -1.442 -0.163 0.118 0.00 0.00 -0.232 NA ATOM 19 N LIG 1 -2.545 -3.434 -0.805 0.00 0.00 -0.230 NA BRANCH 10 21 ATOM 20 C LIG 1 -0.378 -4.778 -2.976 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -1.639 -3.933 -3.064 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 -1.830 1.339 2.000 0.00 0.00 +0.058 C BRANCH 22 23 ATOM 23 C LIG 1 -3.036 2.287 1.858 0.00 0.00 -0.011 C ATOM 24 C LIG 1 -3.251 2.730 0.408 0.00 0.00 +0.007 C ATOM 25 C LIG 1 -2.836 3.516 2.747 0.00 0.00 +0.007 C ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 C LIG 1 4.052 1.355 0.032 0.00 0.00 -0.007 A ATOM 27 C LIG 1 4.069 1.447 1.446 0.00 0.00 +0.028 A ATOM 28 C LIG 1 5.157 2.112 2.053 0.00 0.00 +0.012 A ATOM 29 C LIG 1 6.190 2.676 1.302 0.00 0.00 +0.001 A ATOM 30 C LIG 1 6.164 2.587 -0.082 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.106 1.932 -0.709 0.00 0.00 +0.009 A BRANCH 27 32 ATOM 32 C LIG 1 3.041 0.902 2.352 0.00 0.00 +0.180 A ATOM 33 N LIG 1 1.801 0.408 2.026 0.00 0.00 -0.239 N ATOM 34 H LIG 1 1.339 0.313 1.130 0.00 0.00 +0.192 HD ATOM 35 N LIG 1 1.147 0.016 3.131 0.00 0.00 -0.046 NA ATOM 36 N LIG 1 1.972 0.270 4.130 0.00 0.00 -0.023 NA ATOM 37 N LIG 1 3.139 0.819 3.671 0.00 0.00 -0.108 NA ENDBRANCH 27 32 ENDBRANCH 5 26 TORSDOF 6