REMARK Name = BDB060934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.745 4.088 -1.041 0.00 0.00 -0.008 A ATOM 2 C LIG 1 -2.398 4.013 -0.919 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -1.726 2.759 -0.977 0.00 0.00 +0.140 A ATOM 4 N LIG 1 -2.505 1.617 -1.111 0.00 0.00 -0.288 N ATOM 5 C LIG 1 -1.636 0.533 -1.088 0.00 0.00 +0.127 A ATOM 6 C LIG 1 -0.369 1.099 -1.078 0.00 0.00 +0.082 A ATOM 7 C LIG 1 -3.889 1.665 -1.267 0.00 0.00 +0.095 A ATOM 8 N LIG 1 -0.444 2.472 -0.965 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 -4.518 2.853 -1.237 0.00 0.00 +0.027 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.777 6.256 1.382 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -4.449 6.302 0.062 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -4.427 5.343 -0.984 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.222 5.892 -1.965 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -5.645 5.481 -3.317 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -5.692 7.093 -1.534 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -5.208 7.356 -0.266 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 5 17 ATOM 17 N LIG 1 -2.076 -0.760 -1.204 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.484 -1.322 -1.820 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.362 -1.588 0.019 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -3.271 -2.722 -0.484 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -3.147 -0.777 1.067 0.00 0.00 +0.031 C BRANCH 19 22 ATOM 22 C LIG 1 -0.998 -2.101 0.586 0.00 0.00 +0.031 C BRANCH 22 23 ATOM 23 C LIG 1 -0.867 -3.302 1.578 0.00 0.00 -0.036 C ATOM 24 C LIG 1 -1.071 -4.659 0.878 0.00 0.00 +0.010 C ATOM 25 C LIG 1 0.588 -3.291 2.110 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -1.799 -3.211 2.791 0.00 0.00 +0.010 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 5 17 BRANCH 6 27 ATOM 27 C LIG 1 0.970 0.452 -1.185 0.00 0.00 +0.063 C BRANCH 27 28 ATOM 28 C LIG 1 1.883 0.801 -0.007 0.00 0.00 +0.041 C BRANCH 28 29 ATOM 29 C LIG 1 3.229 0.126 -0.116 0.00 0.00 -0.047 A ATOM 30 C LIG 1 4.176 0.576 -1.042 0.00 0.00 +0.007 A ATOM 31 C LIG 1 5.413 -0.064 -1.152 0.00 0.00 +0.046 A ATOM 32 C LIG 1 5.731 -1.155 -0.340 0.00 0.00 +0.121 A ATOM 33 C LIG 1 4.789 -1.606 0.583 0.00 0.00 +0.046 A ATOM 34 C LIG 1 3.548 -0.968 0.696 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 O LIG 1 6.970 -1.683 -0.562 0.00 0.00 -0.489 OA BRANCH 35 36 ATOM 36 C LIG 1 7.471 -2.687 0.327 0.00 0.00 +0.167 C ATOM 37 C LIG 1 8.993 -2.551 0.328 0.00 0.00 +0.051 C ATOM 38 C LIG 1 7.073 -4.072 -0.175 0.00 0.00 +0.051 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 10