REMARK Name = BDB020683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.515 -0.942 -0.695 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.152 -1.309 -1.109 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.112 -2.794 -1.194 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.761 -0.319 -1.359 0.00 0.00 +0.044 A ATOM 5 N LIG 1 0.337 1.030 -1.166 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.961 1.376 -0.776 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -1.072 2.748 -0.691 0.00 0.00 +0.037 A ATOM 8 C LIG 1 0.186 3.288 -1.006 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.022 2.227 -1.279 0.00 0.00 +0.101 A ATOM 10 C LIG 1 -1.898 0.338 -0.550 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 0.638 4.778 -1.050 0.00 0.00 +0.070 A ATOM 12 N LIG 1 -0.095 5.909 -0.796 0.00 0.00 -0.267 N ATOM 13 C LIG 1 -1.484 6.007 -0.421 0.00 0.00 +0.173 C ATOM 14 N LIG 1 0.618 7.050 -0.928 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 1.833 6.625 -1.273 0.00 0.00 +0.135 A ATOM 16 C LIG 1 1.905 5.226 -1.365 0.00 0.00 +0.049 A ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 -2.962 -2.034 0.868 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -2.563 -1.396 1.548 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.575 -1.963 -0.446 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -3.022 -2.662 -1.346 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.048 -2.876 1.315 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 -8.765 0.430 2.129 0.00 0.00 +0.063 C ATOM 23 C LIG 1 -7.592 -0.450 1.829 0.00 0.00 +0.016 A ATOM 24 N LIG 1 -6.535 -0.406 2.704 0.00 0.00 -0.326 N ATOM 25 H LIG 1 -6.566 0.208 3.508 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 -5.383 -1.137 2.566 0.00 0.00 +0.254 A ATOM 27 O LIG 1 -4.458 -1.025 3.367 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 -5.305 -2.060 1.386 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -6.353 -2.101 0.531 0.00 0.00 -0.039 A ATOM 30 C LIG 1 -6.441 -2.956 -0.704 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -7.521 -1.263 0.765 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 2.171 -0.665 -1.877 0.00 0.00 +0.101 C ATOM 33 C LIG 1 2.807 0.257 -2.933 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 3.086 -1.079 -0.796 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 3.515 -0.054 0.154 0.00 0.00 +0.086 C ATOM 36 C LIG 1 5.010 0.260 0.105 0.00 0.00 +0.034 C ATOM 37 C LIG 1 5.893 -0.995 0.281 0.00 0.00 +0.058 C ATOM 38 C LIG 1 5.131 -2.279 -0.098 0.00 0.00 +0.034 C ATOM 39 C LIG 1 4.146 -1.992 -1.231 0.00 0.00 +0.086 C BRANCH 37 40 ATOM 40 N LIG 1 6.598 -1.028 1.582 0.00 0.00 -0.305 NA ATOM 41 C LIG 1 5.723 -1.137 2.748 0.00 0.00 +0.104 C ATOM 42 C LIG 1 7.630 -2.065 1.626 0.00 0.00 +0.104 C ENDBRANCH 37 40 ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 7