REMARK Name = BDB024870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.882 1.123 -1.643 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.183 0.335 -0.708 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.934 -0.831 -0.192 0.00 0.00 +0.082 C ATOM 4 C LIG 1 7.272 -0.414 0.457 0.00 0.00 +0.028 C ATOM 5 C LIG 1 5.177 -1.635 0.867 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.818 -2.012 0.337 0.00 0.00 +0.041 C ATOM 7 C LIG 1 3.067 -0.764 -0.016 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.658 -0.742 0.112 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.816 -1.723 0.582 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.401 -1.222 0.515 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -0.377 0.042 -0.036 0.00 0.00 -0.319 N ATOM 12 C LIG 1 0.936 0.378 -0.274 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.554 1.518 -0.778 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.954 1.486 -0.899 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.739 0.374 -0.539 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.851 0.710 -2.277 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 6.232 3.240 -2.604 0.00 0.00 +0.282 C ATOM 18 O LIG 1 5.459 2.415 -1.732 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -1.543 0.835 -0.402 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -2.141 1.580 0.780 0.00 0.00 +0.236 C ATOM 21 N LIG 1 -3.507 1.840 0.749 0.00 0.00 -0.290 N ATOM 22 C LIG 1 -4.295 1.935 -0.486 0.00 0.00 +0.203 C ATOM 23 C LIG 1 -4.716 3.387 -0.805 0.00 0.00 +0.230 C ATOM 24 O LIG 1 -5.084 3.729 -1.928 0.00 0.00 -0.274 OA ATOM 25 N LIG 1 -4.807 4.272 0.243 0.00 0.00 -0.313 N ATOM 26 H LIG 1 -5.044 5.219 -0.033 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -4.164 4.045 1.530 0.00 0.00 +0.123 C ATOM 28 C LIG 1 -4.103 2.557 1.875 0.00 0.00 +0.127 C ATOM 29 O LIG 1 -1.450 1.937 1.736 0.00 0.00 -0.274 OA ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 -1.640 -1.933 0.945 0.00 0.00 +0.096 C BRANCH 30 31 ATOM 31 C LIG 1 -2.166 -2.842 -0.169 0.00 0.00 +0.132 C BRANCH 31 32 ATOM 32 N LIG 1 -3.534 -3.289 0.096 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -4.583 -2.424 -0.221 0.00 0.00 +0.251 A ATOM 34 O LIG 1 -4.441 -1.306 -0.712 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -5.952 -2.923 0.081 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -6.119 -4.117 0.664 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -4.981 -4.933 1.002 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -3.745 -4.509 0.714 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6