REMARK Name = BDB052852 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.897 -1.234 -0.198 0.00 0.00 +0.106 A ATOM 2 C LIG 1 -1.248 -2.610 -0.291 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.519 -2.766 0.268 0.00 0.00 +0.058 A ATOM 4 C LIG 1 -3.078 -4.052 0.432 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -2.375 -5.163 -0.045 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.136 -5.014 -0.652 0.00 0.00 +0.001 A ATOM 7 N LIG 1 -2.979 -1.495 0.629 0.00 0.00 -0.280 N ATOM 8 C LIG 1 -0.560 -3.748 -0.771 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -1.989 -0.556 0.330 0.00 0.00 +0.219 A ENDROOT BRANCH 1 11 ATOM 10 O LIG 1 0.707 -0.734 -1.813 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 0.363 -0.651 -0.635 0.00 0.00 +0.253 C ATOM 12 N LIG 1 1.159 -0.034 0.328 0.00 0.00 -0.292 N ATOM 13 C LIG 1 2.327 0.751 -0.126 0.00 0.00 +0.094 C ATOM 14 C LIG 1 2.681 1.838 0.921 0.00 0.00 +0.103 C ATOM 15 N LIG 1 2.974 1.329 2.273 0.00 0.00 -0.313 NA ATOM 16 H LIG 1 2.819 2.079 2.946 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 2.151 0.160 2.620 0.00 0.00 +0.100 C ATOM 18 C LIG 1 0.884 -0.042 1.770 0.00 0.00 +0.123 C BRANCH 13 19 ATOM 19 C LIG 1 3.523 -0.171 -0.461 0.00 0.00 +0.059 C BRANCH 19 20 ATOM 20 C LIG 1 4.611 0.525 -1.245 0.00 0.00 -0.046 A ATOM 21 C LIG 1 5.789 0.946 -0.614 0.00 0.00 +0.004 A ATOM 22 C LIG 1 6.784 1.600 -1.342 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.610 1.840 -2.704 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.441 1.425 -3.341 0.00 0.00 +0.000 A ATOM 25 C LIG 1 4.445 0.771 -2.615 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 1 11 BRANCH 7 26 ATOM 26 C LIG 1 -4.266 -1.194 1.179 0.00 0.00 +0.050 A ATOM 27 C LIG 1 -5.405 -1.873 0.726 0.00 0.00 +0.026 A ATOM 28 C LIG 1 -6.661 -1.573 1.260 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -6.789 -0.595 2.243 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.662 0.091 2.692 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -4.404 -0.202 2.160 0.00 0.00 +0.026 A ENDBRANCH 7 26 BRANCH 9 32 ATOM 32 O LIG 1 -2.216 0.748 0.546 0.00 0.00 -0.439 OA BRANCH 32 33 ATOM 33 C LIG 1 -1.761 1.724 -0.308 0.00 0.00 +0.130 A ATOM 34 C LIG 1 -1.320 2.912 0.276 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -0.858 3.955 -0.527 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -0.853 3.815 -1.915 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.321 2.638 -2.499 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -1.788 1.596 -1.697 0.00 0.00 +0.046 A ENDBRANCH 32 33 ENDBRANCH 9 32 TORSDOF 6