REMARK Name = BDB054858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.519 0.228 -0.879 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -1.290 -0.665 -1.887 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -1.986 -1.262 -2.324 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 -0.007 -0.734 -2.279 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 0.632 0.146 -1.488 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -0.289 0.769 -0.595 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.079 0.373 -1.605 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.803 -0.191 -2.666 0.00 0.00 +0.010 A ATOM 9 C LIG 1 4.180 0.020 -2.795 0.00 0.00 +0.006 A ATOM 10 C LIG 1 4.866 0.808 -1.864 0.00 0.00 -0.030 A ATOM 11 C LIG 1 4.152 1.364 -0.795 0.00 0.00 +0.006 A ATOM 12 C LIG 1 2.774 1.151 -0.668 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 6.352 1.023 -1.982 0.00 0.00 +0.142 C BRANCH 13 14 ATOM 14 N LIG 1 7.076 0.058 -1.197 0.00 0.00 -0.277 N ATOM 15 H LIG 1 7.082 -0.911 -1.479 0.00 0.00 +0.152 HD ATOM 16 C LIG 1 7.516 0.314 0.063 0.00 0.00 +0.401 C ATOM 17 O LIG 1 7.458 1.393 0.631 0.00 0.00 -0.226 OA BRANCH 16 18 ATOM 18 O LIG 1 8.026 -0.822 0.589 0.00 0.00 -0.444 OA BRANCH 18 19 ATOM 19 C LIG 1 8.546 -0.701 1.924 0.00 0.00 +0.292 C BRANCH 19 20 ATOM 20 C LIG 1 9.974 -0.272 1.942 0.00 0.00 +0.121 A ATOM 21 N LIG 1 10.960 -1.174 2.058 0.00 0.00 -0.080 NA ATOM 22 O LIG 1 12.138 -0.449 2.037 0.00 0.00 -0.360 OA ATOM 23 C LIG 1 11.853 0.875 1.911 0.00 0.00 +0.135 A ATOM 24 C LIG 1 13.006 1.790 1.863 0.00 0.00 +0.089 C ATOM 25 C LIG 1 10.493 1.041 1.851 0.00 0.00 +0.074 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 26 ATOM 26 N LIG 1 -2.747 0.460 -0.354 0.00 0.00 -0.285 N ATOM 27 H LIG 1 -2.805 0.995 0.506 0.00 0.00 +0.155 HD BRANCH 26 33 ATOM 28 C LIG 1 -4.971 -3.252 -2.492 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -5.015 -2.043 -1.609 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -6.213 -1.661 -1.142 0.00 0.00 -0.218 NA ATOM 31 C LIG 1 -6.266 -0.566 -0.368 0.00 0.00 +0.127 A ATOM 32 C LIG 1 -5.117 0.155 -0.093 0.00 0.00 +0.087 A ATOM 33 C LIG 1 -3.915 -0.304 -0.603 0.00 0.00 +0.129 A ATOM 34 N LIG 1 -3.859 -1.398 -1.383 0.00 0.00 -0.217 NA BRANCH 31 35 ATOM 35 N LIG 1 -7.506 -0.112 0.129 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -8.661 -0.832 -0.454 0.00 0.00 +0.122 C ATOM 37 C LIG 1 -9.987 -0.219 0.052 0.00 0.00 +0.103 C ATOM 38 N LIG 1 -10.082 -0.213 1.530 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 -11.327 0.417 1.963 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -8.912 0.497 2.087 0.00 0.00 +0.103 C ATOM 41 C LIG 1 -7.565 -0.097 1.608 0.00 0.00 +0.122 C ENDBRANCH 31 35 ENDBRANCH 26 33 ENDBRANCH 1 26 TORSDOF 9