REMARK Name = BDB065000 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.238 -1.761 -2.820 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -0.574 -2.273 -1.566 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.249 -1.449 -0.647 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -1.700 -1.646 0.695 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -2.275 -0.452 1.090 0.00 0.00 +0.084 A ATOM 6 C LIG 1 -2.825 -0.221 2.343 0.00 0.00 +0.096 A ATOM 7 C LIG 1 -3.393 1.103 2.608 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -3.357 2.091 1.587 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -2.738 1.749 0.257 0.00 0.00 +0.264 A ATOM 10 O LIG 1 -2.683 2.557 -0.661 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -3.893 3.363 1.792 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -4.480 3.669 3.020 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.523 2.714 4.039 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -3.985 1.438 3.832 0.00 0.00 +0.011 A ATOM 15 N LIG 1 -2.800 -1.226 3.242 0.00 0.00 -0.253 NA ATOM 16 C LIG 1 -2.242 -2.412 2.875 0.00 0.00 +0.112 A ATOM 17 N LIG 1 -2.208 0.458 0.065 0.00 0.00 -0.274 N ATOM 18 C LIG 1 -1.672 -2.686 1.634 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -1.581 -0.134 -1.026 0.00 0.00 +0.058 A ATOM 20 C LIG 1 -1.280 0.365 -2.303 0.00 0.00 +0.030 A ATOM 21 C LIG 1 -0.610 -0.476 -3.200 0.00 0.00 +0.048 A ENDROOT BRANCH 1 22 ATOM 22 O LIG 1 0.442 -2.586 -3.680 0.00 0.00 -0.480 OA BRANCH 22 24 ATOM 23 C LIG 1 2.449 -3.061 -4.888 0.00 0.00 +0.062 C ATOM 24 C LIG 1 1.805 -2.171 -3.823 0.00 0.00 +0.255 C BRANCH 24 25 ATOM 25 C LIG 1 2.637 -2.306 -2.526 0.00 0.00 +0.254 C ATOM 26 N LIG 1 3.514 -1.256 -2.302 0.00 0.00 -0.308 N ATOM 27 H LIG 1 3.391 -0.406 -2.837 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 2.537 -3.265 -1.764 0.00 0.00 -0.272 OA BRANCH 26 29 ATOM 29 C LIG 1 4.179 -1.114 -1.029 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 C LIG 1 3.409 -0.180 -0.135 0.00 0.00 -0.027 A ATOM 31 C LIG 1 3.736 1.184 -0.079 0.00 0.00 +0.054 A ATOM 32 C LIG 1 2.965 2.001 0.720 0.00 0.00 +0.167 A ATOM 33 O LIG 1 3.138 3.342 0.883 0.00 0.00 -0.453 OA ATOM 34 C LIG 1 2.091 3.640 1.837 0.00 0.00 +0.466 C ATOM 35 O LIG 1 1.282 2.492 2.170 0.00 0.00 -0.453 OA ATOM 36 C LIG 1 1.904 1.518 1.452 0.00 0.00 +0.166 A ATOM 37 C LIG 1 1.557 0.187 1.427 0.00 0.00 +0.050 A ATOM 38 C LIG 1 2.311 -0.666 0.618 0.00 0.00 +0.009 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 5