REMARK Name = BDB022480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.289 1.859 -0.704 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -1.954 1.418 -0.638 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.146 1.643 0.495 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -1.704 2.335 1.579 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -3.020 2.790 1.534 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.802 2.559 0.404 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.245 1.171 0.537 0.00 0.00 +0.000 A ATOM 8 C LIG 1 1.305 2.019 0.850 0.00 0.00 +0.121 A ATOM 9 N LIG 1 2.606 1.644 0.908 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 2.905 0.362 0.650 0.00 0.00 +0.125 A ATOM 11 C LIG 1 1.923 -0.565 0.320 0.00 0.00 +0.044 A ATOM 12 C LIG 1 0.588 -0.156 0.265 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 4.229 -0.090 0.687 0.00 0.00 -0.267 N ATOM 14 H LIG 1 4.388 -1.061 0.468 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 5.318 0.660 1.063 0.00 0.00 +0.242 C ATOM 16 O LIG 1 5.349 1.800 1.504 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 6.597 -0.095 0.967 0.00 0.00 +0.064 C ATOM 18 C LIG 1 6.943 -0.823 -0.109 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 8.233 -1.577 -0.308 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 9.223 -1.401 0.761 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 9.971 -0.137 0.617 0.00 0.00 +0.085 C ATOM 22 C LIG 1 11.145 -0.429 -0.310 0.00 0.00 +0.017 C ATOM 23 C LIG 1 11.276 -1.944 -0.328 0.00 0.00 +0.017 C ATOM 24 C LIG 1 10.274 -2.430 0.705 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -3.598 0.635 -2.968 0.00 0.00 +0.025 C ATOM 26 C LIG 1 -4.185 1.625 -1.935 0.00 0.00 +0.067 C ATOM 27 C LIG 1 -4.378 2.978 -2.653 0.00 0.00 +0.025 C BRANCH 26 28 ATOM 28 C LIG 1 -5.569 1.055 -1.515 0.00 0.00 +0.228 C ATOM 29 N LIG 1 -5.484 -0.121 -0.799 0.00 0.00 -0.268 N ATOM 30 H LIG 1 -4.588 -0.481 -0.502 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 -6.621 1.610 -1.830 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 C LIG 1 -6.545 -0.855 -0.329 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -6.289 -1.951 0.393 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 -7.508 -2.431 0.698 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -7.574 -3.275 1.255 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 -8.523 -1.680 0.192 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -7.932 -0.646 -0.491 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 -10.033 -1.956 0.336 0.00 0.00 +0.037 C ATOM 39 C LIG 1 -10.618 -2.121 1.713 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -10.916 -0.884 0.917 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9