REMARK Name = BDB025303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.635 0.033 -0.873 0.00 0.00 -0.045 A ATOM 2 C LIG 1 -2.265 1.252 -0.579 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -3.636 1.281 -0.241 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -4.540 2.334 0.088 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -5.780 1.754 0.318 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -5.650 0.393 0.162 0.00 0.00 -0.313 N ATOM 7 N LIG 1 -6.928 2.393 0.633 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -6.782 3.732 0.738 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -5.602 4.436 0.544 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -4.447 3.732 0.208 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -4.350 0.078 -0.200 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -3.732 -1.151 -0.488 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -2.373 -1.151 -0.820 0.00 0.00 +0.006 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -6.778 -0.528 0.294 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -6.498 -1.679 1.248 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -5.789 -1.596 2.248 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -7.155 -2.861 0.980 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -6.988 -3.614 1.635 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -8.116 -3.099 0.030 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -8.714 -4.170 -0.013 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -8.442 -1.954 -0.897 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -7.245 -1.034 -1.073 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 23 ATOM 23 C LIG 1 -0.161 0.001 -1.205 0.00 0.00 +0.050 C BRANCH 23 24 ATOM 24 C LIG 1 0.699 -0.146 0.062 0.00 0.00 +0.089 C BRANCH 24 29 ATOM 25 C LIG 1 6.314 0.533 -0.249 0.00 0.00 +0.403 C ATOM 26 N LIG 1 4.966 0.385 -0.001 0.00 0.00 -0.265 N ATOM 27 C LIG 1 4.404 -0.825 0.594 0.00 0.00 +0.126 C ATOM 28 C LIG 1 2.907 -0.691 0.929 0.00 0.00 +0.103 C ATOM 29 N LIG 1 2.137 -0.228 -0.235 0.00 0.00 -0.299 NA ATOM 30 C LIG 1 2.686 1.024 -0.801 0.00 0.00 +0.103 C ATOM 31 C LIG 1 4.048 1.488 -0.239 0.00 0.00 +0.126 C ATOM 32 O LIG 1 6.815 1.561 -0.686 0.00 0.00 -0.226 OA BRANCH 25 33 ATOM 33 O LIG 1 7.008 -0.596 0.052 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 9.176 0.342 0.753 0.00 0.00 +0.055 C ATOM 35 C LIG 1 8.444 -0.666 -0.140 0.00 0.00 +0.107 C ATOM 36 C LIG 1 8.818 -0.503 -1.617 0.00 0.00 +0.055 C ATOM 37 C LIG 1 8.825 -2.085 0.308 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 25 33 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 6