REMARK Name = BDB034489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.071 -0.764 2.398 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -1.119 -1.461 1.790 0.00 0.00 -0.282 N ATOM 3 O LIG 1 0.238 -0.887 3.580 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 4 C LIG 1 5.969 1.368 -3.399 0.00 0.00 +0.068 C ATOM 5 C LIG 1 4.956 0.795 -2.485 0.00 0.00 +0.067 A ATOM 6 C LIG 1 4.022 1.421 -1.687 0.00 0.00 +0.109 A ATOM 7 C LIG 1 3.686 2.801 -1.476 0.00 0.00 +0.143 A ATOM 8 N LIG 1 2.770 3.119 -0.605 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 2.120 2.106 0.128 0.00 0.00 +0.090 A ATOM 10 C LIG 1 2.385 0.730 -0.039 0.00 0.00 +0.074 A ATOM 11 C LIG 1 1.693 -0.219 0.718 0.00 0.00 +0.041 A ATOM 12 C LIG 1 0.705 0.212 1.610 0.00 0.00 +0.039 A ATOM 13 C LIG 1 0.454 1.571 1.808 0.00 0.00 +0.015 A ATOM 14 C LIG 1 1.161 2.512 1.062 0.00 0.00 +0.030 A ATOM 15 N LIG 1 3.374 0.413 -0.999 0.00 0.00 -0.291 N ATOM 16 C LIG 1 3.901 -0.784 -1.462 0.00 0.00 +0.112 A ATOM 17 C LIG 1 3.484 -2.149 -1.062 0.00 0.00 +0.086 C ATOM 18 N LIG 1 4.859 -0.564 -2.345 0.00 0.00 -0.237 NA BRANCH 7 19 ATOM 19 N LIG 1 4.256 3.838 -2.159 0.00 0.00 -0.341 N ATOM 20 H LIG 1 4.464 3.652 -3.130 0.00 0.00 +0.144 HD ATOM 21 H LIG 1 3.724 4.692 -2.030 0.00 0.00 +0.144 HD ENDBRANCH 7 19 ENDBRANCH 1 12 BRANCH 2 22 ATOM 22 C LIG 1 -1.821 -2.466 2.627 0.00 0.00 +0.141 C ATOM 23 C LIG 1 -1.139 -3.835 2.511 0.00 0.00 +0.036 C BRANCH 22 24 ATOM 24 C LIG 1 -3.330 -2.539 2.382 0.00 0.00 +0.149 A ATOM 25 N LIG 1 -4.105 -1.623 3.002 0.00 0.00 -0.238 NA ATOM 26 C LIG 1 -5.429 -1.683 2.761 0.00 0.00 +0.114 A ATOM 27 C LIG 1 -6.005 -2.598 1.915 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -5.136 -3.474 1.311 0.00 0.00 +0.114 A ATOM 29 N LIG 1 -3.805 -3.463 1.519 0.00 0.00 -0.238 NA ENDBRANCH 22 24 ENDBRANCH 2 22 BRANCH 2 30 ATOM 30 C LIG 1 -1.333 -1.502 0.331 0.00 0.00 +0.164 C BRANCH 30 31 ATOM 31 C LIG 1 -1.730 -0.180 -0.293 0.00 0.00 +0.059 A ATOM 32 N LIG 1 -1.001 0.232 -1.363 0.00 0.00 -0.258 NA ATOM 33 C LIG 1 -1.303 1.434 -1.905 0.00 0.00 +0.123 A ATOM 34 C LIG 1 -2.326 2.253 -1.453 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.076 1.804 -0.363 0.00 0.00 +0.016 A ATOM 36 C LIG 1 -2.780 0.574 0.221 0.00 0.00 +0.025 A BRANCH 34 37 ATOM 37 C LIG 1 -2.567 3.582 -2.095 0.00 0.00 +0.419 C ATOM 38 F LIG 1 -3.875 3.963 -2.050 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -1.867 4.585 -1.499 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.220 3.614 -3.412 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 7