REMARK Name = BDB060034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.268 -0.481 -1.230 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.125 -1.117 -0.781 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.733 -1.822 -1.757 0.00 0.00 +0.164 C ATOM 4 C LIG 1 -1.674 -2.678 -0.903 0.00 0.00 +0.065 C ATOM 5 C LIG 1 -0.918 -2.868 0.403 0.00 0.00 +0.134 C ATOM 6 C LIG 1 -0.202 -1.531 0.578 0.00 0.00 +0.140 C ATOM 7 O LIG 1 1.486 -0.381 -2.442 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.592 -0.895 -2.636 0.00 0.00 +0.234 C ATOM 9 N LIG 1 -1.781 0.367 -2.120 0.00 0.00 -0.310 N ATOM 10 H LIG 1 -1.307 0.597 -1.258 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -2.185 -1.310 -3.630 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 -2.725 1.305 -2.671 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 -3.969 1.339 -1.821 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -4.145 2.328 -0.842 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -5.284 2.339 -0.014 0.00 0.00 -0.013 A ATOM 16 C LIG 1 -6.271 1.342 -0.166 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.395 1.408 0.685 0.00 0.00 +0.124 A ATOM 18 N LIG 1 -7.555 2.345 1.638 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 -6.587 3.274 1.760 0.00 0.00 +0.113 A ATOM 20 C LIG 1 -6.075 0.344 -1.146 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -5.454 3.318 0.968 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -4.940 0.343 -1.959 0.00 0.00 +0.006 A BRANCH 17 23 ATOM 23 N LIG 1 -8.437 0.477 0.604 0.00 0.00 -0.343 N ATOM 24 H LIG 1 -9.130 0.769 1.289 0.00 0.00 +0.144 HD ATOM 25 H LIG 1 -8.826 0.461 -0.332 0.00 0.00 +0.144 HD ENDBRANCH 17 23 ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 5 26 ATOM 26 O LIG 1 -1.787 -3.174 1.478 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 -2.514 -2.528 1.495 0.00 0.00 +0.210 HD ENDBRANCH 5 26 BRANCH 1 28 ATOM 28 C LIG 1 2.305 0.098 -0.222 0.00 0.00 +0.144 C BRANCH 28 29 ATOM 29 C LIG 1 1.705 1.164 0.742 0.00 0.00 +0.012 C ATOM 30 C LIG 1 1.140 2.343 -0.069 0.00 0.00 +0.009 C BRANCH 29 32 ATOM 31 C LIG 1 2.216 2.687 2.758 0.00 0.00 +0.004 C ATOM 32 C LIG 1 2.752 1.662 1.766 0.00 0.00 +0.002 C ENDBRANCH 29 32 ENDBRANCH 28 29 BRANCH 28 33 ATOM 33 N LIG 1 2.959 -1.034 0.483 0.00 0.00 -0.303 NA ATOM 34 H LIG 1 2.622 -1.915 0.091 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 4.426 -1.028 0.349 0.00 0.00 +0.054 C ATOM 36 C LIG 1 4.883 -1.424 -1.071 0.00 0.00 +0.019 C ATOM 37 C LIG 1 6.296 -2.015 -1.118 0.00 0.00 +0.002 C ATOM 38 C LIG 1 7.155 -1.550 0.048 0.00 0.00 +0.000 C ATOM 39 C LIG 1 6.546 -1.950 1.392 0.00 0.00 +0.002 C ATOM 40 C LIG 1 5.015 -1.994 1.384 0.00 0.00 +0.019 C ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 10