REMARK Name = BDB045351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.141 -1.580 0.361 0.00 0.00 -0.041 A ATOM 2 C LIG 1 4.052 -1.379 -1.028 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.828 -0.973 -1.574 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.677 -0.787 -0.818 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.679 -0.390 -1.762 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.190 -0.292 -2.998 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 1.760 -0.999 0.571 0.00 0.00 +0.012 A ATOM 8 N LIG 1 2.467 -0.674 -2.857 0.00 0.00 -0.276 N ATOM 9 H LIG 1 3.054 -0.697 -3.683 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.983 -1.397 1.134 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 8.377 -2.879 1.063 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 8.034 -1.767 0.701 0.00 0.00 +0.228 C ATOM 13 C LIG 1 6.684 -1.138 0.964 0.00 0.00 +0.081 C ATOM 14 C LIG 1 5.446 -2.013 0.990 0.00 0.00 +0.040 C ATOM 15 C LIG 1 5.955 -1.358 2.258 0.00 0.00 +0.031 C ATOM 16 C LIG 1 6.789 0.225 0.339 0.00 0.00 -0.011 A ATOM 17 C LIG 1 8.065 0.333 -0.238 0.00 0.00 +0.038 A ATOM 18 C LIG 1 8.509 1.458 -0.901 0.00 0.00 +0.023 A ATOM 19 C LIG 1 7.627 2.535 -0.987 0.00 0.00 +0.002 A ATOM 20 C LIG 1 6.347 2.461 -0.412 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.925 1.306 0.259 0.00 0.00 +0.006 A ATOM 22 N LIG 1 8.777 -0.848 -0.018 0.00 0.00 -0.284 N ATOM 23 H LIG 1 9.724 -1.026 -0.314 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 -0.698 -0.080 -1.510 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -1.482 -0.629 -0.566 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 -2.895 -0.279 -0.370 0.00 0.00 -0.025 A ATOM 27 C LIG 1 -3.768 -0.052 -1.434 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -5.118 0.252 -1.200 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -5.654 0.326 0.094 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -4.759 0.082 1.148 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -3.408 -0.222 0.926 0.00 0.00 +0.010 A BRANCH 29 32 ATOM 32 N LIG 1 -6.985 0.633 0.328 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -7.849 1.195 -0.723 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -9.055 1.932 -0.096 0.00 0.00 +0.100 C ATOM 35 N LIG 1 -9.910 1.117 0.789 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 -10.221 1.708 1.559 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -9.172 -0.039 1.326 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -7.659 0.182 1.557 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 4