REMARK Name = BDB054864 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.194 0.831 0.886 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -0.296 1.657 1.858 0.00 0.00 -0.263 N ATOM 3 H LIG 1 0.222 2.255 2.489 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 -1.632 1.651 1.962 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 -2.043 0.789 1.015 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -0.919 0.254 0.322 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.467 0.501 0.800 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -4.445 1.081 1.621 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -5.808 0.815 1.430 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -6.223 -0.038 0.409 0.00 0.00 +0.036 A ATOM 11 C LIG 1 -5.255 -0.621 -0.416 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.893 -0.355 -0.223 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 N LIG 1 -7.566 -0.357 0.149 0.00 0.00 -0.251 N ATOM 14 H LIG 1 -7.760 -0.987 -0.616 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -8.689 0.080 0.804 0.00 0.00 +0.410 C ATOM 16 O LIG 1 -8.743 0.842 1.758 0.00 0.00 -0.226 OA BRANCH 15 17 ATOM 17 O LIG 1 -9.793 -0.505 0.189 0.00 0.00 -0.411 OA BRANCH 17 18 ATOM 18 C LIG 1 -11.037 -0.141 0.717 0.00 0.00 +0.133 A ATOM 19 C LIG 1 -11.545 1.141 0.515 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -12.812 1.456 1.006 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -13.562 0.486 1.676 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -13.050 -0.801 1.855 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -11.784 -1.121 1.368 0.00 0.00 +0.046 A ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 25 ATOM 24 C LIG 1 2.053 -0.083 -0.378 0.00 0.00 +0.249 C ATOM 25 N LIG 1 1.549 0.706 0.644 0.00 0.00 -0.267 N ATOM 26 H LIG 1 2.193 1.262 1.191 0.00 0.00 +0.157 HD ATOM 27 O LIG 1 1.402 -0.707 -1.209 0.00 0.00 -0.270 OA BRANCH 24 31 ATOM 28 C LIG 1 6.363 -0.191 -0.719 0.00 0.00 +0.030 A ATOM 29 C LIG 1 5.738 -0.153 0.540 0.00 0.00 +0.024 A ATOM 30 C LIG 1 4.345 -0.124 0.675 0.00 0.00 +0.015 A ATOM 31 C LIG 1 3.539 -0.118 -0.465 0.00 0.00 +0.037 A ATOM 32 C LIG 1 4.135 -0.166 -1.726 0.00 0.00 +0.015 A ATOM 33 C LIG 1 5.530 -0.190 -1.847 0.00 0.00 +0.024 A BRANCH 28 38 ATOM 34 C LIG 1 11.997 -0.700 -1.156 0.00 0.00 +0.105 C ATOM 35 N LIG 1 10.563 -0.908 -1.340 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 9.928 0.302 -1.906 0.00 0.00 +0.103 C ATOM 37 C LIG 1 8.400 0.140 -2.079 0.00 0.00 +0.120 C ATOM 38 N LIG 1 7.765 -0.202 -0.787 0.00 0.00 -0.327 N ATOM 39 C LIG 1 8.380 -1.408 -0.176 0.00 0.00 +0.120 C ATOM 40 C LIG 1 9.913 -1.235 -0.052 0.00 0.00 +0.103 C ENDBRANCH 28 38 ENDBRANCH 24 31 ENDBRANCH 1 25 TORSDOF 7