REMARK Name = BDB020385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.747 -0.959 1.012 0.00 0.00 +0.233 C ATOM 2 N LIG 1 0.678 -0.257 1.562 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -0.150 0.731 0.819 0.00 0.00 +0.179 C ATOM 4 C LIG 1 -1.509 0.975 1.522 0.00 0.00 +0.141 C ATOM 5 N LIG 1 -2.171 -0.306 1.808 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -1.353 -1.284 2.554 0.00 0.00 +0.128 C ATOM 7 C LIG 1 0.076 -0.765 2.803 0.00 0.00 +0.127 C ATOM 8 O LIG 1 2.170 -1.987 1.556 0.00 0.00 -0.274 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -3.209 -0.718 1.019 0.00 0.00 +0.282 C ATOM 10 O LIG 1 -3.684 -1.959 1.303 0.00 0.00 -0.455 OA ATOM 11 C LIG 1 -4.919 -2.044 0.592 0.00 0.00 +0.234 C ATOM 12 C LIG 1 -4.746 -0.995 -0.519 0.00 0.00 +0.102 C ATOM 13 C LIG 1 -6.043 -0.239 -0.806 0.00 0.00 +0.040 C ATOM 14 C LIG 1 -4.142 -1.521 -1.830 0.00 0.00 +0.040 C ATOM 15 N LIG 1 -3.762 -0.048 0.057 0.00 0.00 -0.226 NA BRANCH 11 16 ATOM 16 C LIG 1 -5.226 -3.462 0.159 0.00 0.00 -0.005 A ATOM 17 C LIG 1 -4.214 -4.423 0.000 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -4.520 -5.718 -0.419 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -5.841 -6.072 -0.681 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.857 -5.133 -0.525 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -6.553 -3.836 -0.109 0.00 0.00 +0.007 A ENDBRANCH 11 16 ENDBRANCH 5 9 BRANCH 3 22 ATOM 22 C LIG 1 0.517 2.108 0.672 0.00 0.00 +0.235 C ATOM 23 N LIG 1 -0.060 2.910 -0.296 0.00 0.00 -0.310 N ATOM 24 H LIG 1 -0.893 2.589 -0.775 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 1.457 2.482 1.370 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 C LIG 1 0.272 4.311 -0.413 0.00 0.00 +0.139 C BRANCH 26 27 ATOM 27 C LIG 1 -0.581 5.131 0.522 0.00 0.00 -0.030 A ATOM 28 C LIG 1 -0.093 5.495 1.786 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -0.895 6.207 2.681 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -2.198 6.566 2.318 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -2.697 6.193 1.067 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -1.893 5.483 0.171 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -3.094 7.304 3.245 0.00 0.00 +0.242 C ATOM 34 O LIG 1 -4.313 7.206 3.177 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -2.501 8.134 4.156 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -1.531 8.411 4.096 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -3.122 8.707 4.713 0.00 0.00 +0.145 HD ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 3 22 BRANCH 1 38 ATOM 38 C LIG 1 2.412 -0.429 -0.303 0.00 0.00 +0.143 C BRANCH 38 39 ATOM 39 N LIG 1 1.499 -0.709 -1.441 0.00 0.00 -0.298 NA ATOM 40 C LIG 1 1.471 -2.109 -1.850 0.00 0.00 +0.105 C ATOM 41 C LIG 1 1.679 0.181 -2.580 0.00 0.00 +0.105 C ENDBRANCH 38 39 BRANCH 38 42 ATOM 42 C LIG 1 3.857 -0.995 -0.378 0.00 0.00 +0.028 C BRANCH 42 43 ATOM 43 C LIG 1 4.737 -0.393 -1.476 0.00 0.00 +0.003 C BRANCH 43 44 ATOM 44 C LIG 1 6.238 -0.640 -1.262 0.00 0.00 +0.015 C BRANCH 44 45 ATOM 45 C LIG 1 6.626 -2.125 -1.308 0.00 0.00 +0.084 C BRANCH 45 47 ATOM 46 C LIG 1 8.905 -1.836 -2.138 0.00 0.00 +0.104 C ATOM 47 N LIG 1 8.061 -2.355 -1.060 0.00 0.00 -0.308 NA ATOM 48 C LIG 1 8.313 -3.788 -0.883 0.00 0.00 +0.104 C ENDBRANCH 45 47 ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 38 42 ENDBRANCH 1 38 TORSDOF 13