REMARK Name = BDB008284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.054 1.326 -0.405 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.041 0.341 -0.385 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -0.652 -0.973 -0.195 0.00 0.00 +0.129 A ATOM 4 N LIG 1 0.638 -1.332 -0.050 0.00 0.00 -0.217 NA ATOM 5 C LIG 1 1.589 -0.385 -0.094 0.00 0.00 +0.129 A ATOM 6 C LIG 1 1.286 0.956 -0.279 0.00 0.00 +0.070 A ENDROOT BRANCH 1 15 ATOM 7 C LIG 1 -2.479 2.045 1.819 0.00 0.00 +0.046 C ATOM 8 C LIG 1 -2.525 3.137 0.783 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -1.545 3.384 -0.219 0.00 0.00 +0.057 A ATOM 10 C LIG 1 -1.590 4.559 -0.989 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -0.385 4.643 -1.727 0.00 0.00 +0.028 A ATOM 12 C LIG 1 0.357 3.527 -1.433 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -2.698 5.424 -0.890 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -3.724 5.130 0.003 0.00 0.00 +0.001 A ATOM 15 N LIG 1 -0.401 2.688 -0.637 0.00 0.00 -0.315 N ATOM 16 C LIG 1 -3.627 4.019 0.830 0.00 0.00 +0.005 A ENDBRANCH 1 15 BRANCH 3 17 ATOM 17 N LIG 1 -1.533 -2.048 -0.150 0.00 0.00 -0.269 N ATOM 18 H LIG 1 -1.083 -2.948 -0.001 0.00 0.00 +0.156 HD ATOM 19 C LIG 1 -2.909 -2.049 -0.151 0.00 0.00 +0.235 C ATOM 20 O LIG 1 -3.632 -1.059 -0.200 0.00 0.00 -0.274 OA BRANCH 19 21 ATOM 21 C LIG 1 -3.478 -3.489 -0.140 0.00 0.00 +0.135 C ATOM 22 C LIG 1 -4.914 -3.521 0.367 0.00 0.00 +0.033 C BRANCH 21 23 ATOM 23 N LIG 1 -2.617 -4.371 0.679 0.00 0.00 -0.320 NA ATOM 24 H LIG 1 -2.679 -4.078 1.656 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -2.998 -5.317 0.655 0.00 0.00 +0.119 HD ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 3 17 BRANCH 5 26 ATOM 26 N LIG 1 2.936 -0.724 0.049 0.00 0.00 -0.265 N ATOM 27 H LIG 1 3.631 0.013 0.011 0.00 0.00 +0.157 HD ATOM 28 C LIG 1 3.442 -1.992 0.245 0.00 0.00 +0.268 C ATOM 29 O LIG 1 2.829 -3.047 0.332 0.00 0.00 -0.268 OA BRANCH 28 30 ATOM 30 C LIG 1 4.939 -1.996 0.355 0.00 0.00 +0.126 A ATOM 31 N LIG 1 5.551 -0.778 0.250 0.00 0.00 -0.249 NA ATOM 32 C LIG 1 6.904 -0.782 0.351 0.00 0.00 +0.131 A ATOM 33 C LIG 1 7.666 -1.926 0.548 0.00 0.00 +0.059 A ATOM 34 CL LIG 1 9.375 -1.835 0.664 0.00 0.00 -0.082 Cl ATOM 35 C LIG 1 7.013 -3.150 0.651 0.00 0.00 +0.024 A ATOM 36 C LIG 1 5.623 -3.191 0.554 0.00 0.00 +0.034 A ENDBRANCH 28 30 ENDBRANCH 5 26 TORSDOF 6