REMARK Name = BDB000064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.385 -0.466 -0.188 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.068 0.436 -0.008 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.532 0.674 0.107 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.741 -0.496 0.210 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.338 -1.683 0.672 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.688 -1.739 1.051 0.00 0.00 +0.041 A ATOM 7 N LIG 1 -4.298 -2.945 1.512 0.00 0.00 -0.274 N ATOM 8 C LIG 1 -5.567 -2.958 2.090 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -6.176 -1.609 2.391 0.00 0.00 +0.101 C ATOM 10 C LIG 1 -5.928 -0.632 1.264 0.00 0.00 +0.046 C ATOM 11 O LIG 1 -6.150 -3.987 2.434 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -3.591 -4.210 1.377 0.00 0.00 +0.138 C ATOM 13 C LIG 1 -4.461 -0.577 0.952 0.00 0.00 -0.025 A ATOM 14 C LIG 1 -3.887 0.610 0.478 0.00 0.00 +0.015 A BRANCH 3 20 ATOM 15 C LIG 1 -0.602 3.459 -3.581 0.00 0.00 +0.065 C ATOM 16 C LIG 1 -1.066 3.305 -2.164 0.00 0.00 +0.039 A ATOM 17 N LIG 1 -0.963 4.383 -1.355 0.00 0.00 -0.260 NA ATOM 18 C LIG 1 -1.368 4.239 -0.076 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -1.883 3.063 0.442 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -1.993 1.950 -0.396 0.00 0.00 -0.013 A ATOM 21 C LIG 1 -1.575 2.086 -1.726 0.00 0.00 +0.031 A ENDBRANCH 3 20 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 0.477 -1.429 -0.730 0.00 0.00 +0.044 A ATOM 23 C LIG 1 1.854 -1.263 -0.668 0.00 0.00 +0.071 A ATOM 24 C LIG 1 2.643 -0.151 -0.137 0.00 0.00 +0.256 C ATOM 25 N LIG 1 3.960 -0.484 -0.293 0.00 0.00 -0.222 N ATOM 26 C LIG 1 4.096 -1.678 -0.947 0.00 0.00 +0.255 C ATOM 27 O LIG 1 5.113 -2.245 -1.298 0.00 0.00 -0.270 OA ATOM 28 O LIG 1 2.156 0.869 0.314 0.00 0.00 -0.269 OA ATOM 29 C LIG 1 2.748 -2.194 -1.169 0.00 0.00 +0.051 A ATOM 30 C LIG 1 2.329 -3.363 -1.768 0.00 0.00 +0.014 A ATOM 31 C LIG 1 0.952 -3.569 -1.855 0.00 0.00 +0.003 A ATOM 32 C LIG 1 0.042 -2.615 -1.343 0.00 0.00 +0.024 A BRANCH 25 33 ATOM 33 C LIG 1 5.080 0.412 -0.050 0.00 0.00 +0.171 C ATOM 34 C LIG 1 5.124 1.473 -1.155 0.00 0.00 +0.240 C ATOM 35 O LIG 1 4.617 1.325 -2.265 0.00 0.00 -0.273 OA ATOM 36 N LIG 1 5.837 2.613 -0.858 0.00 0.00 -0.255 N ATOM 37 H LIG 1 5.878 3.312 -1.589 0.00 0.00 +0.158 HD ATOM 38 C LIG 1 6.377 2.979 0.350 0.00 0.00 +0.219 C ATOM 39 O LIG 1 6.942 4.059 0.491 0.00 0.00 -0.275 OA ATOM 40 C LIG 1 6.296 1.960 1.464 0.00 0.00 +0.098 C ATOM 41 C LIG 1 5.063 1.081 1.322 0.00 0.00 +0.041 C ENDBRANCH 25 33 ENDBRANCH 1 22 TORSDOF 4