REMARK Name = BDB039482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.209 -1.516 -1.614 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -2.612 -2.857 -1.455 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.626 -3.807 -1.224 0.00 0.00 +0.139 A ATOM 4 N LIG 1 -2.231 -5.028 -1.105 0.00 0.00 -0.346 N ATOM 5 H LIG 1 -1.728 -5.884 -0.928 0.00 0.00 +0.167 HD ATOM 6 C LIG 1 -3.587 -4.892 -1.253 0.00 0.00 +0.085 A ATOM 7 N LIG 1 -0.301 -3.611 -1.123 0.00 0.00 -0.229 NA ATOM 8 C LIG 1 0.075 -2.316 -1.252 0.00 0.00 +0.074 A ATOM 9 C LIG 1 -3.853 -3.556 -1.468 0.00 0.00 +0.029 A ATOM 10 C LIG 1 -0.826 -1.272 -1.498 0.00 0.00 +0.034 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.530 -2.075 -1.125 0.00 0.00 +0.001 A ATOM 12 C LIG 1 2.035 -0.947 -0.441 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.407 -0.764 -0.351 0.00 0.00 -0.017 A ATOM 14 C LIG 1 4.181 0.317 0.327 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.559 -0.020 -0.008 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.651 -1.238 -0.668 0.00 0.00 +0.248 C ATOM 17 O LIG 1 6.658 -1.839 -0.990 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.278 -1.686 -0.923 0.00 0.00 +0.042 A ATOM 19 C LIG 1 3.839 -2.809 -1.590 0.00 0.00 +0.014 A ATOM 20 C LIG 1 2.456 -2.997 -1.685 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.717 0.607 0.618 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.836 0.260 2.111 0.00 0.00 +0.240 C ATOM 23 O LIG 1 6.170 -0.601 2.683 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.756 1.004 2.814 0.00 0.00 -0.255 N ATOM 25 H LIG 1 7.812 0.781 3.799 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.159 2.276 2.496 0.00 0.00 +0.219 C ATOM 27 O LIG 1 8.640 3.020 3.345 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 7.992 2.696 1.054 0.00 0.00 +0.098 C ATOM 29 C LIG 1 6.713 2.124 0.461 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 8 11 BRANCH 1 30 ATOM 30 C LIG 1 -3.167 -0.380 -1.885 0.00 0.00 +0.120 C BRANCH 30 33 ATOM 31 C LIG 1 -5.461 1.387 0.370 0.00 0.00 +0.007 C ATOM 32 C LIG 1 -4.987 0.980 -1.024 0.00 0.00 +0.088 C ATOM 33 N LIG 1 -3.950 -0.003 -0.708 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -3.157 0.596 0.366 0.00 0.00 +0.085 C ATOM 35 C LIG 1 -4.159 1.411 1.181 0.00 0.00 +0.020 C BRANCH 31 37 ATOM 36 C LIG 1 -6.681 3.051 1.845 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -6.256 2.707 0.414 0.00 0.00 -0.013 C ATOM 38 C LIG 1 -7.496 2.648 -0.483 0.00 0.00 +0.007 C ENDBRANCH 31 37 ENDBRANCH 30 33 ENDBRANCH 1 30 TORSDOF 5