REMARK Name = BDB062110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.075 0.971 -0.135 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.923 0.046 -0.389 0.00 0.00 -0.324 N ATOM 3 C LIG 1 -2.109 0.746 -0.547 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -1.747 2.080 -0.399 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -2.717 3.088 -0.504 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.047 2.728 -0.759 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -4.392 1.378 -0.901 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.433 0.361 -0.802 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.408 2.198 -0.154 0.00 0.00 -0.232 NA ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -0.807 -1.407 -0.498 0.00 0.00 +0.094 C ATOM 11 C LIG 1 -0.469 -2.092 0.833 0.00 0.00 +0.059 C ATOM 12 C LIG 1 0.205 -3.467 0.655 0.00 0.00 +0.067 C ATOM 13 C LIG 1 1.733 -3.387 0.787 0.00 0.00 +0.041 C ATOM 14 C LIG 1 -0.295 -4.414 1.760 0.00 0.00 +0.041 C ATOM 15 O LIG 1 -0.189 -4.083 -0.573 0.00 0.00 -0.368 OA ATOM 16 C LIG 1 0.019 -3.393 -1.811 0.00 0.00 +0.067 C ATOM 17 C LIG 1 1.281 -3.933 -2.495 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -1.187 -3.776 -2.688 0.00 0.00 +0.041 C ATOM 19 C LIG 1 0.088 -1.864 -1.650 0.00 0.00 +0.059 C ENDBRANCH 2 10 BRANCH 6 20 ATOM 20 C LIG 1 -5.062 3.756 -0.853 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -5.875 3.968 -1.945 0.00 0.00 +0.142 A ATOM 22 C LIG 1 -6.027 3.336 -3.270 0.00 0.00 +0.090 C ATOM 23 O LIG 1 -6.701 5.018 -1.690 0.00 0.00 -0.359 OA ATOM 24 N LIG 1 -6.436 5.525 -0.432 0.00 0.00 -0.083 NA ATOM 25 C LIG 1 -5.451 4.767 0.066 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -4.919 5.042 1.421 0.00 0.00 +0.070 C ENDBRANCH 6 20 BRANCH 1 27 ATOM 27 C LIG 1 1.516 0.664 0.121 0.00 0.00 +0.079 C BRANCH 27 28 ATOM 28 C LIG 1 2.042 1.424 1.343 0.00 0.00 +0.043 C BRANCH 28 33 ATOM 29 C LIG 1 6.096 0.185 2.256 0.00 0.00 +0.138 A ATOM 30 C LIG 1 4.996 -0.503 2.792 0.00 0.00 +0.083 A ATOM 31 CL LIG 1 5.203 -1.883 3.815 0.00 0.00 -0.080 Cl ATOM 32 C LIG 1 3.688 -0.095 2.508 0.00 0.00 +0.027 A ATOM 33 C LIG 1 3.454 1.008 1.679 0.00 0.00 -0.045 A ATOM 34 C LIG 1 4.547 1.691 1.138 0.00 0.00 +0.007 A ATOM 35 C LIG 1 5.856 1.286 1.426 0.00 0.00 +0.047 A BRANCH 29 37 ATOM 36 C LIG 1 8.466 0.431 2.095 0.00 0.00 +0.277 C ATOM 37 O LIG 1 7.340 -0.283 2.587 0.00 0.00 -0.494 OA ENDBRANCH 29 37 ENDBRANCH 28 33 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 6