REMARK Name = BDB024678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.953 -0.615 1.291 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.874 -1.178 0.586 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.125 -2.191 -0.469 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.612 -3.521 0.134 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.916 -2.514 -1.362 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.125 -1.264 -1.668 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.652 -0.702 -0.360 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.355 -0.169 -0.209 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.346 -0.089 -1.132 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.667 0.496 -0.527 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.358 0.783 0.789 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.951 0.374 1.002 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.806 0.422 2.106 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.097 -0.102 1.947 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.540 -0.657 0.738 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.886 0.262 2.146 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.202 1.412 1.814 0.00 0.00 +0.091 C ATOM 18 C LIG 1 -1.281 2.947 1.668 0.00 0.00 +0.056 C ATOM 19 C LIG 1 -2.673 3.556 1.542 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -3.705 2.831 2.393 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -3.812 1.366 1.999 0.00 0.00 +0.004 C ATOM 22 C LIG 1 -2.488 0.625 2.149 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 O LIG 1 -3.064 3.538 0.174 0.00 0.00 -0.392 OA ATOM 24 H LIG 1 -3.928 3.983 0.104 0.00 0.00 +0.210 HD ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.291 -0.571 1.559 0.00 0.00 +0.282 C ATOM 26 O LIG 1 7.157 -1.125 0.890 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -1.968 0.775 -1.208 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.635 -0.525 -1.688 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -4.143 -0.367 -1.835 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -4.700 0.631 -2.650 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.085 0.767 -2.761 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.929 -0.091 -2.061 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.391 -1.091 -1.255 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.006 -1.231 -1.143 0.00 0.00 +0.004 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -2.003 -0.981 -2.991 0.00 0.00 +0.313 C ATOM 36 O LIG 1 -1.845 -0.318 -4.006 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.643 -2.283 -2.974 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 -1.222 -2.410 -3.849 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8