REMARK Name = BDB056920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.172 0.944 -0.232 0.00 0.00 +0.105 A ATOM 2 C LIG 1 -0.439 0.871 1.054 0.00 0.00 +0.065 A ATOM 3 C LIG 1 -1.746 1.271 0.862 0.00 0.00 +0.164 A ATOM 4 N LIG 1 -2.704 1.367 1.798 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -2.284 1.011 3.021 0.00 0.00 +0.217 A ATOM 6 N LIG 1 -1.034 0.620 3.333 0.00 0.00 -0.222 NA ATOM 7 N LIG 1 -1.864 1.540 -0.473 0.00 0.00 -0.240 N ATOM 8 C LIG 1 -0.094 0.550 2.359 0.00 0.00 +0.128 A ATOM 9 N LIG 1 -0.699 1.404 -1.150 0.00 0.00 -0.168 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.184 -0.020 -1.250 0.00 0.00 +0.121 A ATOM 11 N LIG 1 3.530 -0.749 -0.320 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 2.244 -0.423 -0.028 0.00 0.00 +0.123 A ATOM 13 C LIG 1 1.546 0.626 -0.607 0.00 0.00 +0.021 A ATOM 14 C LIG 1 2.218 1.356 -1.583 0.00 0.00 +0.015 A ATOM 15 C LIG 1 3.538 1.031 -1.905 0.00 0.00 +0.044 A BRANCH 10 19 ATOM 16 N LIG 1 7.992 -0.432 0.102 0.00 0.00 -0.300 NA ATOM 17 C LIG 1 7.880 0.369 -1.131 0.00 0.00 +0.103 C ATOM 18 C LIG 1 6.429 0.824 -1.414 0.00 0.00 +0.122 C ATOM 19 N LIG 1 5.514 -0.332 -1.581 0.00 0.00 -0.313 N ATOM 20 C LIG 1 6.022 -1.596 -1.005 0.00 0.00 +0.122 C ATOM 21 C LIG 1 6.843 -1.348 0.279 0.00 0.00 +0.103 C BRANCH 16 23 ATOM 22 C LIG 1 9.662 -2.170 -0.707 0.00 0.00 +0.020 C ATOM 23 C LIG 1 9.301 -1.061 0.279 0.00 0.00 +0.081 C ENDBRANCH 16 23 ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 5 24 ATOM 24 N LIG 1 -3.171 1.024 4.090 0.00 0.00 -0.316 N ATOM 25 H LIG 1 -2.590 0.988 4.921 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -4.127 2.108 4.057 0.00 0.00 +0.128 C ENDBRANCH 5 24 BRANCH 7 27 ATOM 27 C LIG 1 -3.061 2.019 -1.147 0.00 0.00 +0.204 C BRANCH 27 28 ATOM 28 C LIG 1 -3.982 0.903 -1.472 0.00 0.00 +0.104 A ATOM 29 N LIG 1 -4.279 0.590 -2.776 0.00 0.00 -0.133 NA ATOM 30 N LIG 1 -5.136 -0.421 -2.778 0.00 0.00 -0.065 NA ATOM 31 N LIG 1 -5.392 -0.739 -1.496 0.00 0.00 -0.247 N ATOM 32 C LIG 1 -4.694 0.062 -0.642 0.00 0.00 +0.135 A BRANCH 31 33 ATOM 33 C LIG 1 -6.269 -1.847 -1.168 0.00 0.00 +0.180 C BRANCH 33 34 ATOM 34 C LIG 1 -7.572 -1.368 -0.577 0.00 0.00 -0.026 A ATOM 35 C LIG 1 -8.534 -0.747 -1.387 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -9.737 -0.298 -0.841 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -9.990 -0.463 0.519 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.041 -1.076 1.335 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.837 -1.526 0.792 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 8