REMARK Name = BDB000281 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.436 -0.366 0.064 0.00 0.00 -0.011 A ATOM 2 C LIG 1 0.128 -0.148 0.543 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.664 -1.192 1.045 0.00 0.00 +0.079 A ATOM 4 N LIG 1 -1.982 -0.987 1.545 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -2.744 -2.078 1.956 0.00 0.00 +0.260 C ATOM 6 C LIG 1 -2.165 -3.452 1.614 0.00 0.00 +0.256 C ATOM 7 O LIG 1 -0.755 -3.583 1.551 0.00 0.00 -0.478 OA ATOM 8 C LIG 1 -2.772 -3.945 0.302 0.00 0.00 +0.062 C ATOM 9 O LIG 1 -3.852 -1.970 2.486 0.00 0.00 -0.271 OA ATOM 10 C LIG 1 -0.110 -2.478 1.068 0.00 0.00 +0.143 A ATOM 11 C LIG 1 1.190 -2.712 0.612 0.00 0.00 +0.048 A ATOM 12 C LIG 1 1.954 -1.665 0.101 0.00 0.00 +0.012 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.300 1.333 0.186 0.00 0.00 +0.056 A ATOM 14 C LIG 1 2.223 0.751 -0.479 0.00 0.00 +0.043 A ATOM 15 C LIG 1 1.923 1.334 -1.713 0.00 0.00 +0.129 A ATOM 16 N LIG 1 2.601 2.365 -2.236 0.00 0.00 -0.199 NA ATOM 17 C LIG 1 3.612 2.847 -1.516 0.00 0.00 +0.214 A ATOM 18 N LIG 1 4.005 2.365 -0.337 0.00 0.00 -0.219 NA BRANCH 15 19 ATOM 19 N LIG 1 0.835 0.902 -2.482 0.00 0.00 -0.343 N ATOM 20 H LIG 1 0.848 1.426 -3.353 0.00 0.00 +0.144 HD ATOM 21 H LIG 1 0.851 -0.100 -2.635 0.00 0.00 +0.144 HD ENDBRANCH 15 19 BRANCH 17 22 ATOM 22 N LIG 1 4.335 3.894 -2.045 0.00 0.00 -0.327 N ATOM 23 H LIG 1 5.266 3.901 -1.653 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 4.249 3.901 -3.051 0.00 0.00 +0.145 HD ENDBRANCH 17 22 BRANCH 13 26 ATOM 25 C LIG 1 5.034 0.046 1.468 0.00 0.00 +0.010 C ATOM 26 C LIG 1 3.767 0.885 1.550 0.00 0.00 +0.053 C ENDBRANCH 13 26 ENDBRANCH 1 14 BRANCH 4 27 ATOM 27 C LIG 1 -2.577 0.341 1.677 0.00 0.00 +0.116 C BRANCH 27 28 ATOM 28 C LIG 1 -3.590 0.671 0.576 0.00 0.00 +0.047 C BRANCH 28 29 ATOM 29 C LIG 1 -2.970 0.794 -0.813 0.00 0.00 +0.161 C BRANCH 29 30 ATOM 30 O LIG 1 -3.970 1.071 -1.796 0.00 0.00 -0.383 OA ATOM 31 C LIG 1 -4.280 2.454 -1.903 0.00 0.00 +0.193 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 4 27 TORSDOF 8