REMARK Name = BDB065254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.003 1.092 -0.433 0.00 0.00 +0.164 A ATOM 2 C LIG 1 3.346 0.651 -1.593 0.00 0.00 +0.162 A ATOM 3 C LIG 1 1.986 0.345 -1.529 0.00 0.00 +0.062 A ATOM 4 C LIG 1 1.264 0.462 -0.315 0.00 0.00 +0.044 A ATOM 5 C LIG 1 1.937 0.870 0.843 0.00 0.00 +0.081 A ATOM 6 N LIG 1 1.337 0.969 2.030 0.00 0.00 -0.218 NA ATOM 7 C LIG 1 0.036 0.645 2.071 0.00 0.00 +0.234 A ATOM 8 N LIG 1 -0.715 0.257 1.032 0.00 0.00 -0.203 NA ATOM 9 C LIG 1 -0.111 0.183 -0.163 0.00 0.00 +0.131 A ATOM 10 C LIG 1 3.289 1.182 0.765 0.00 0.00 +0.078 A ENDROOT BRANCH 2 11 ATOM 11 O LIG 1 4.106 0.574 -2.731 0.00 0.00 -0.491 OA ATOM 12 C LIG 1 3.547 -0.090 -3.855 0.00 0.00 +0.277 C ENDBRANCH 2 11 BRANCH 7 13 ATOM 13 C LIG 1 -0.621 0.730 3.349 0.00 0.00 +0.140 C ATOM 14 N LIG 1 -1.156 0.800 4.380 0.00 0.00 -0.188 NA ENDBRANCH 7 13 BRANCH 9 15 ATOM 15 N LIG 1 -0.859 -0.220 -1.281 0.00 0.00 -0.326 N ATOM 16 H LIG 1 -0.713 0.445 -2.037 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 -2.289 -0.559 -1.163 0.00 0.00 +0.074 C ATOM 18 C LIG 1 -3.162 0.642 -0.801 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -4.645 0.252 -0.770 0.00 0.00 +0.086 C ATOM 20 N LIG 1 -4.900 -1.102 -0.264 0.00 0.00 -0.300 NA ATOM 21 C LIG 1 -3.813 -1.619 0.568 0.00 0.00 +0.086 C ATOM 22 C LIG 1 -2.551 -1.786 -0.279 0.00 0.00 +0.037 C BRANCH 20 23 ATOM 23 C LIG 1 -6.239 -1.319 0.312 0.00 0.00 +0.050 C ATOM 24 C LIG 1 -7.347 -0.979 -0.693 0.00 0.00 +0.024 C ATOM 25 C LIG 1 -6.493 -0.598 1.642 0.00 0.00 +0.024 C ENDBRANCH 20 23 ENDBRANCH 15 17 ENDBRANCH 9 15 BRANCH 1 26 ATOM 26 O LIG 1 5.338 1.373 -0.570 0.00 0.00 -0.486 OA BRANCH 26 27 ATOM 27 C LIG 1 6.034 2.042 0.487 0.00 0.00 +0.257 C BRANCH 27 28 ATOM 28 C LIG 1 6.660 1.045 1.464 0.00 0.00 +0.200 C BRANCH 28 30 ATOM 29 C LIG 1 8.374 -0.562 1.697 0.00 0.00 +0.194 C ATOM 30 O LIG 1 7.795 0.422 0.852 0.00 0.00 -0.380 OA ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9