REMARK Name = BDB021056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.640 2.421 -2.888 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -4.539 2.298 -1.964 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -3.764 2.924 -2.124 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -4.795 2.063 -0.638 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.670 2.009 0.168 0.00 0.00 -0.278 N ATOM 6 C LIG 1 -2.347 1.605 -0.316 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -1.982 0.287 0.279 0.00 0.00 +0.064 A ATOM 8 N LIG 1 -2.661 -0.262 1.344 0.00 0.00 -0.328 N ATOM 9 C LIG 1 -2.058 -1.438 1.680 0.00 0.00 +0.114 A ATOM 10 N LIG 1 -1.018 -1.670 0.908 0.00 0.00 -0.232 NA ATOM 11 C LIG 1 -3.827 0.344 1.960 0.00 0.00 +0.142 C ATOM 12 C LIG 1 -0.973 -0.621 0.022 0.00 0.00 +0.094 A ATOM 13 C LIG 1 -3.877 1.827 1.607 0.00 0.00 +0.131 C ATOM 14 O LIG 1 -5.933 1.923 -0.199 0.00 0.00 -0.253 OA ENDROOT BRANCH 12 15 ATOM 15 C LIG 1 0.041 -0.499 -1.007 0.00 0.00 +0.011 A ATOM 16 C LIG 1 1.420 -0.395 -0.680 0.00 0.00 +0.009 A ATOM 17 C LIG 1 2.364 -0.259 -1.720 0.00 0.00 -0.014 A ATOM 18 C LIG 1 3.727 -0.140 -1.408 0.00 0.00 +0.037 A ATOM 19 C LIG 1 4.130 -0.153 -0.077 0.00 0.00 +0.075 A ATOM 20 N LIG 1 3.254 -0.281 0.942 0.00 0.00 -0.254 NA ATOM 21 C LIG 1 1.928 -0.244 -3.055 0.00 0.00 +0.008 A ATOM 22 C LIG 1 0.575 -0.363 -3.369 0.00 0.00 +0.001 A ATOM 23 C LIG 1 1.942 -0.408 0.623 0.00 0.00 +0.120 A ATOM 24 C LIG 1 -0.364 -0.491 -2.351 0.00 0.00 +0.011 A BRANCH 19 25 ATOM 25 C LIG 1 5.521 -0.027 0.322 0.00 0.00 +0.038 A ATOM 26 C LIG 1 6.620 0.106 -0.505 0.00 0.00 +0.118 A ATOM 27 N LIG 1 7.710 0.188 0.314 0.00 0.00 -0.274 N ATOM 28 C LIG 1 9.089 0.331 -0.086 0.00 0.00 +0.172 C ATOM 29 N LIG 1 7.407 0.124 1.621 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.077 -0.011 1.624 0.00 0.00 +0.144 A ENDBRANCH 19 25 ENDBRANCH 12 15 BRANCH 9 31 ATOM 31 C LIG 1 -2.498 -2.394 2.823 0.00 0.00 +0.055 C ATOM 32 C LIG 1 -3.791 -3.155 2.683 0.00 0.00 +0.012 C ATOM 33 C LIG 1 -2.481 -3.879 2.570 0.00 0.00 +0.012 C ENDBRANCH 9 31 TORSDOF 3