REMARK Name = BDB045553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.121 -0.380 0.286 0.00 0.00 -0.212 N ATOM 2 C LIG 1 -0.303 0.925 0.061 0.00 0.00 +0.168 A ATOM 3 N LIG 1 -1.608 0.907 -0.144 0.00 0.00 -0.206 NA ATOM 4 C LIG 1 -1.985 -0.381 0.125 0.00 0.00 +0.186 A ATOM 5 N LIG 1 -0.966 -1.166 0.502 0.00 0.00 -0.144 NA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 3.947 -2.208 0.226 0.00 0.00 +0.059 A ATOM 7 C LIG 1 2.863 -2.840 0.844 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.605 -2.229 0.855 0.00 0.00 +0.028 A ATOM 9 C LIG 1 1.419 -0.968 0.264 0.00 0.00 +0.068 A ATOM 10 C LIG 1 2.501 -0.350 -0.378 0.00 0.00 +0.028 A ATOM 11 C LIG 1 3.759 -0.965 -0.389 0.00 0.00 +0.017 A BRANCH 6 13 ATOM 12 O LIG 1 5.499 -3.972 0.746 0.00 0.00 -0.245 OA ATOM 13 C LIG 1 5.262 -2.893 0.237 0.00 0.00 +0.337 C BRANCH 13 14 ATOM 14 O LIG 1 6.221 -2.189 -0.389 0.00 0.00 -0.477 OA ATOM 15 H LIG 1 7.018 -2.755 -0.308 0.00 0.00 +0.295 HD ENDBRANCH 13 14 ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 0.479 2.161 0.033 0.00 0.00 +0.061 A ATOM 17 C LIG 1 0.178 3.156 -0.912 0.00 0.00 +0.128 A ATOM 18 C LIG 1 0.917 4.335 -0.979 0.00 0.00 +0.046 A ATOM 19 C LIG 1 1.949 4.557 -0.069 0.00 0.00 +0.004 A ATOM 20 C LIG 1 2.229 3.605 0.911 0.00 0.00 +0.001 A ATOM 21 C LIG 1 1.492 2.418 0.969 0.00 0.00 +0.015 A BRANCH 17 22 ATOM 22 O LIG 1 -0.857 3.028 -1.803 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -1.453 2.321 -1.467 0.00 0.00 +0.292 HD ENDBRANCH 17 22 ENDBRANCH 2 16 BRANCH 4 24 ATOM 24 C LIG 1 -3.374 -0.833 0.060 0.00 0.00 +0.062 A ATOM 25 C LIG 1 -4.337 -0.205 -0.746 0.00 0.00 +0.128 A ATOM 26 C LIG 1 -5.660 -0.660 -0.769 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -6.037 -1.754 0.009 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -5.094 -2.397 0.807 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.773 -1.940 0.831 0.00 0.00 +0.015 A BRANCH 25 30 ATOM 30 O LIG 1 -3.996 0.852 -1.549 0.00 0.00 -0.506 OA ATOM 31 H LIG 1 -4.792 1.197 -1.984 0.00 0.00 +0.292 HD ENDBRANCH 25 30 ENDBRANCH 4 24 TORSDOF 7