REMARK Name = BDB002537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.997 -0.166 0.561 0.00 0.00 +0.162 A ATOM 2 C LIG 1 2.715 0.659 -0.546 0.00 0.00 +0.162 A ATOM 3 C LIG 1 1.418 0.692 -1.071 0.00 0.00 +0.062 A ATOM 4 C LIG 1 0.395 -0.084 -0.502 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.688 -0.917 0.579 0.00 0.00 +0.017 A ATOM 6 C LIG 1 1.980 -0.953 1.112 0.00 0.00 +0.050 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.959 -0.024 -1.124 0.00 0.00 +0.279 C ATOM 8 N LIG 1 -2.187 -0.166 -0.429 0.00 0.00 -0.200 N ATOM 9 C LIG 1 -3.484 -0.191 -0.932 0.00 0.00 +0.045 A ATOM 10 C LIG 1 -3.813 -0.106 -2.378 0.00 0.00 +0.066 C ATOM 11 C LIG 1 -4.324 -0.308 0.154 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -3.479 -0.344 1.277 0.00 0.00 +0.061 A ATOM 13 C LIG 1 -3.861 -0.456 2.705 0.00 0.00 +0.067 C ATOM 14 N LIG 1 -2.192 -0.260 0.931 0.00 0.00 -0.169 NA ATOM 15 O LIG 1 -1.012 0.183 -2.338 0.00 0.00 -0.265 OA ENDBRANCH 4 7 BRANCH 1 17 ATOM 16 C LIG 1 4.602 -0.920 2.165 0.00 0.00 +0.277 C ATOM 17 O LIG 1 4.291 -0.139 1.019 0.00 0.00 -0.491 OA ENDBRANCH 1 17 BRANCH 2 18 ATOM 18 O LIG 1 3.768 1.391 -1.036 0.00 0.00 -0.491 OA ATOM 19 C LIG 1 3.541 2.180 -2.196 0.00 0.00 +0.277 C ENDBRANCH 2 18 TORSDOF 3