REMARK Name = BDB034670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.650 -0.545 -0.095 0.00 0.00 +0.033 A ATOM 2 C LIG 1 0.518 -1.127 0.503 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -0.591 -0.333 0.716 0.00 0.00 +0.072 A ATOM 4 N LIG 1 -1.836 -0.645 1.281 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -2.658 0.503 1.244 0.00 0.00 +0.330 A ATOM 6 N LIG 1 -1.871 1.533 0.682 0.00 0.00 -0.292 N ATOM 7 O LIG 1 -3.818 0.583 1.614 0.00 0.00 -0.246 OA ATOM 8 C LIG 1 -0.612 1.014 0.354 0.00 0.00 +0.070 A ATOM 9 C LIG 1 0.479 1.618 -0.230 0.00 0.00 +0.030 A ATOM 10 C LIG 1 1.614 0.825 -0.449 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 2.800 -1.346 -0.270 0.00 0.00 -0.313 N ATOM 12 H LIG 1 2.573 -2.332 -0.389 0.00 0.00 +0.152 HD BRANCH 11 18 ATOM 13 C LIG 1 6.024 0.469 0.127 0.00 0.00 +0.129 A ATOM 14 N LIG 1 6.891 -0.291 -0.576 0.00 0.00 -0.229 NA ATOM 15 C LIG 1 6.396 -1.405 -1.156 0.00 0.00 +0.149 A ATOM 16 CL LIG 1 7.607 -2.282 -2.012 0.00 0.00 -0.061 Cl ATOM 17 C LIG 1 5.071 -1.814 -1.082 0.00 0.00 +0.110 A ATOM 18 C LIG 1 4.173 -1.018 -0.349 0.00 0.00 +0.054 A ATOM 19 C LIG 1 4.676 0.141 0.258 0.00 0.00 +0.057 A BRANCH 13 23 ATOM 20 C LIG 1 8.990 1.327 0.296 0.00 0.00 +0.128 C ATOM 21 N LIG 1 7.856 2.060 0.809 0.00 0.00 -0.313 N ATOM 22 H LIG 1 8.035 2.942 1.272 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 6.522 1.727 0.778 0.00 0.00 +0.262 C ATOM 24 O LIG 1 5.715 2.494 1.305 0.00 0.00 -0.269 OA ENDBRANCH 13 23 BRANCH 17 25 ATOM 25 C LIG 1 4.638 -3.010 -1.732 0.00 0.00 +0.104 C ATOM 26 N LIG 1 4.242 -3.983 -2.224 0.00 0.00 -0.191 NA ENDBRANCH 17 25 ENDBRANCH 11 18 ENDBRANCH 1 11 BRANCH 6 27 ATOM 27 C LIG 1 -2.330 2.874 0.415 0.00 0.00 +0.130 C BRANCH 27 28 ATOM 28 C LIG 1 -2.753 3.092 -1.050 0.00 0.00 +0.013 C ATOM 29 C LIG 1 -3.073 4.574 -1.320 0.00 0.00 +0.033 C ATOM 30 C LIG 1 -4.575 4.818 -1.355 0.00 0.00 +0.160 C ATOM 31 O LIG 1 -5.218 4.077 -2.390 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -4.678 2.778 -2.638 0.00 0.00 +0.160 C ATOM 33 C LIG 1 -3.942 2.196 -1.440 0.00 0.00 +0.033 C ENDBRANCH 27 28 ENDBRANCH 6 27 BRANCH 4 34 ATOM 34 C LIG 1 -2.273 -1.952 1.707 0.00 0.00 +0.130 C BRANCH 34 35 ATOM 35 C LIG 1 -2.780 -2.792 0.535 0.00 0.00 +0.056 C BRANCH 35 36 ATOM 36 C LIG 1 -3.359 -4.166 0.915 0.00 0.00 +0.062 C ATOM 37 C LIG 1 -2.340 -5.046 1.641 0.00 0.00 +0.041 C ATOM 38 C LIG 1 -4.645 -4.043 1.736 0.00 0.00 +0.041 C BRANCH 36 39 ATOM 39 O LIG 1 -3.688 -4.818 -0.319 0.00 0.00 -0.389 OA ATOM 40 H LIG 1 -4.116 -5.667 -0.112 0.00 0.00 +0.210 HD ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 10