REMARK Name = BDB062167 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.270 0.640 1.058 0.00 0.00 +0.239 C ATOM 2 N LIG 1 2.062 0.159 0.553 0.00 0.00 -0.298 N ATOM 3 C LIG 1 1.099 -0.624 1.327 0.00 0.00 +0.109 C ATOM 4 C LIG 1 0.214 -1.500 0.446 0.00 0.00 +0.038 C ATOM 5 C LIG 1 -0.518 -0.693 -0.665 0.00 0.00 +0.059 C ATOM 6 C LIG 1 0.616 -0.011 -1.481 0.00 0.00 +0.038 C ATOM 7 C LIG 1 1.544 0.848 -0.625 0.00 0.00 +0.109 C ATOM 8 O LIG 1 3.996 1.407 0.427 0.00 0.00 -0.271 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.219 -1.668 -1.593 0.00 0.00 +0.159 A ATOM 10 N LIG 1 -2.391 -1.407 -2.251 0.00 0.00 -0.242 N ATOM 11 H LIG 1 -2.985 -0.586 -2.223 0.00 0.00 +0.192 HD ATOM 12 N LIG 1 -2.740 -2.455 -3.005 0.00 0.00 -0.047 NA ATOM 13 N LIG 1 -1.786 -3.353 -2.812 0.00 0.00 -0.023 NA ATOM 14 N LIG 1 -0.834 -2.881 -1.942 0.00 0.00 -0.113 NA ENDBRANCH 5 9 BRANCH 5 15 ATOM 15 C LIG 1 -1.563 0.284 -0.068 0.00 0.00 -0.034 A ATOM 16 C LIG 1 -1.734 1.595 -0.549 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -2.719 2.439 -0.025 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.568 1.988 0.978 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.441 0.688 1.453 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.457 -0.156 0.932 0.00 0.00 +0.004 A ENDBRANCH 5 15 BRANCH 1 22 ATOM 21 C LIG 1 4.966 0.232 2.782 0.00 0.00 +0.013 C ATOM 22 C LIG 1 3.675 0.202 2.422 0.00 0.00 +0.060 C ENDBRANCH 1 22 TORSDOF 3