REMARK Name = BDB010428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.699 -0.583 -1.057 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.609 -0.348 -0.227 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.369 -1.273 -0.556 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.187 -1.983 -1.607 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.410 -3.006 -2.238 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 1.606 -3.295 -1.723 0.00 0.00 +0.221 A ATOM 7 N LIG 1 2.236 -2.660 -0.713 0.00 0.00 -0.206 NA ATOM 8 C LIG 1 1.647 -1.610 -0.105 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.414 -1.511 -1.942 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -6.016 -0.706 -0.600 0.00 0.00 +0.040 C ATOM 11 C LIG 1 -5.224 0.558 -0.247 0.00 0.00 +0.140 C ATOM 12 C LIG 1 -3.723 0.333 0.156 0.00 0.00 +0.135 C ATOM 13 N LIG 1 -2.890 0.072 -1.040 0.00 0.00 -0.289 N ATOM 14 C LIG 1 -3.131 0.969 -2.184 0.00 0.00 +0.136 C ATOM 15 C LIG 1 -4.622 1.123 -2.481 0.00 0.00 +0.179 C ATOM 16 O LIG 1 -5.347 1.528 -1.312 0.00 0.00 -0.373 OA BRANCH 12 17 ATOM 17 C LIG 1 -3.625 -0.704 1.274 0.00 0.00 -0.025 A ATOM 18 C LIG 1 -3.498 -2.080 1.020 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.426 -2.999 2.069 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.498 -2.559 3.388 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.647 -1.202 3.661 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.716 -0.282 2.613 0.00 0.00 +0.005 A ENDBRANCH 12 17 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 C LIG 1 2.339 -4.424 -2.331 0.00 0.00 +0.287 A ATOM 24 O LIG 1 1.703 -5.071 -3.343 0.00 0.00 -0.385 OA ATOM 25 C LIG 1 2.577 -6.042 -3.714 0.00 0.00 +0.436 A ATOM 26 O LIG 1 2.405 -6.862 -4.597 0.00 0.00 -0.221 OA ATOM 27 N LIG 1 3.669 -5.908 -2.903 0.00 0.00 -0.208 N ATOM 28 H LIG 1 4.495 -6.490 -2.931 0.00 0.00 +0.195 HD ATOM 29 N LIG 1 3.520 -4.883 -2.025 0.00 0.00 -0.127 NA ENDBRANCH 6 23 BRANCH 8 30 ATOM 30 N LIG 1 2.317 -0.930 0.909 0.00 0.00 -0.324 N ATOM 31 H LIG 1 2.210 0.069 0.801 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 3.705 -1.325 1.196 0.00 0.00 +0.072 C ATOM 33 C LIG 1 3.698 -2.523 2.151 0.00 0.00 +0.028 C BRANCH 32 34 ATOM 34 C LIG 1 4.433 -0.148 1.879 0.00 0.00 +0.009 C ATOM 35 C LIG 1 5.977 -0.262 2.032 0.00 0.00 +0.005 C ATOM 36 C LIG 1 6.117 0.543 0.727 0.00 0.00 +0.001 C ATOM 37 C LIG 1 4.707 1.102 0.991 0.00 0.00 +0.005 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 8 30 BRANCH 2 38 ATOM 38 C LIG 1 -0.483 0.695 0.770 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -0.337 2.124 0.214 0.00 0.00 +0.009 C ATOM 40 C LIG 1 0.805 2.269 -0.809 0.00 0.00 +0.005 C ATOM 41 C LIG 1 1.481 3.642 -0.794 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.525 4.795 -0.479 0.00 0.00 -0.014 C ATOM 43 C LIG 1 -0.460 5.035 -1.628 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -0.209 4.575 0.857 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -0.178 3.128 1.360 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 8