REMARK Name = BDB052526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.622 -1.394 -0.601 0.00 0.00 +0.062 A ATOM 2 C LIG 1 -0.751 -1.665 -0.519 0.00 0.00 +0.230 A ATOM 3 N LIG 1 -1.425 -2.477 -1.378 0.00 0.00 -0.220 NA ATOM 4 C LIG 1 -0.716 -3.051 -2.369 0.00 0.00 +0.114 A ATOM 5 C LIG 1 0.641 -2.862 -2.545 0.00 0.00 +0.021 A ATOM 6 C LIG 1 1.309 -2.030 -1.650 0.00 0.00 +0.017 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.277 -0.200 1.557 0.00 0.00 +0.216 A ATOM 8 N LIG 1 2.567 -0.958 0.713 0.00 0.00 -0.214 NA ATOM 9 C LIG 1 1.346 -0.514 0.333 0.00 0.00 +0.081 A ATOM 10 C LIG 1 0.852 0.700 0.767 0.00 0.00 +0.048 A ATOM 11 C LIG 1 1.658 1.409 1.621 0.00 0.00 +0.116 A ATOM 12 N LIG 1 2.866 0.984 2.024 0.00 0.00 -0.223 NA BRANCH 7 13 ATOM 13 N LIG 1 4.508 -0.713 1.922 0.00 0.00 -0.313 N ATOM 14 H LIG 1 4.726 -1.468 1.284 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 5.570 0.235 2.209 0.00 0.00 +0.108 C BRANCH 15 19 ATOM 16 N LIG 1 8.336 1.769 -0.818 0.00 0.00 -0.303 NA ATOM 17 C LIG 1 7.709 2.715 0.117 0.00 0.00 +0.084 C ATOM 18 C LIG 1 7.090 2.049 1.348 0.00 0.00 +0.020 C ATOM 19 C LIG 1 6.084 0.957 0.951 0.00 0.00 +0.009 C ATOM 20 C LIG 1 6.730 -0.012 -0.052 0.00 0.00 +0.020 C ATOM 21 C LIG 1 7.369 0.741 -1.223 0.00 0.00 +0.084 C BRANCH 16 23 ATOM 22 C LIG 1 10.425 0.509 -1.348 0.00 0.00 +0.020 C ATOM 23 C LIG 1 9.600 1.236 -0.291 0.00 0.00 +0.081 C ENDBRANCH 16 23 ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 7 13 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 O LIG 1 -1.448 -1.121 0.557 0.00 0.00 -0.437 OA BRANCH 24 25 ATOM 25 C LIG 1 -2.825 -1.087 0.468 0.00 0.00 +0.138 A ATOM 26 C LIG 1 -3.595 -1.794 1.413 0.00 0.00 +0.026 A ATOM 27 C LIG 1 -5.013 -1.692 1.365 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -5.745 -2.386 2.363 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -5.122 -3.166 3.341 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -3.741 -3.274 3.360 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -5.628 -0.895 0.342 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -4.810 -0.169 -0.538 0.00 0.00 +0.027 A ATOM 33 C LIG 1 -2.987 -2.592 2.408 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -3.424 -0.260 -0.479 0.00 0.00 +0.049 A BRANCH 31 35 ATOM 35 N LIG 1 -7.047 -0.801 0.272 0.00 0.00 -0.285 N ATOM 36 H LIG 1 -7.491 -1.652 0.589 0.00 0.00 +0.155 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.781 0.140 -0.362 0.00 0.00 +0.198 A ATOM 38 N LIG 1 -9.135 -0.056 -0.500 0.00 0.00 -0.326 N ATOM 39 H LIG 1 -9.642 -0.863 -0.176 0.00 0.00 +0.169 HD ATOM 40 C LIG 1 -9.675 1.021 -1.152 0.00 0.00 +0.067 A ATOM 41 C LIG 1 -8.588 1.853 -1.378 0.00 0.00 +0.091 A ATOM 42 C LIG 1 -8.785 3.075 -2.037 0.00 0.00 +0.030 A ATOM 43 C LIG 1 -10.081 3.413 -2.448 0.00 0.00 +0.002 A ATOM 44 C LIG 1 -11.156 2.554 -2.207 0.00 0.00 +0.002 A ATOM 45 C LIG 1 -10.977 1.331 -1.549 0.00 0.00 +0.028 A ATOM 46 N LIG 1 -7.435 1.297 -0.882 0.00 0.00 -0.214 NA ENDBRANCH 35 37 ENDBRANCH 31 35 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9