REMARK Name = BDB063787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.135 0.208 -0.955 0.00 0.00 +0.115 A ATOM 2 C LIG 1 0.995 -0.886 -0.812 0.00 0.00 +0.056 A ATOM 3 C LIG 1 2.209 -0.707 -0.154 0.00 0.00 +0.068 A ATOM 4 C LIG 1 2.565 0.550 0.348 0.00 0.00 +0.066 A ATOM 5 N LIG 1 3.784 0.717 1.008 0.00 0.00 -0.316 N ATOM 6 H LIG 1 4.060 1.618 1.374 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 4.686 -0.307 1.202 0.00 0.00 +0.314 A ATOM 8 C LIG 1 4.294 -1.698 0.645 0.00 0.00 +0.314 A ATOM 9 O LIG 1 5.029 -2.668 0.768 0.00 0.00 -0.262 OA ATOM 10 O LIG 1 5.746 -0.126 1.787 0.00 0.00 -0.262 OA ATOM 11 C LIG 1 1.710 1.641 0.190 0.00 0.00 +0.030 A ATOM 12 N LIG 1 3.076 -1.791 0.005 0.00 0.00 -0.316 N ATOM 13 H LIG 1 2.843 -2.706 -0.356 0.00 0.00 +0.169 HD ATOM 14 C LIG 1 0.491 1.473 -0.469 0.00 0.00 +0.031 A ENDROOT BRANCH 1 15 ATOM 15 S LIG 1 -1.413 0.003 -1.795 0.00 0.00 +0.099 S ATOM 16 O LIG 1 -1.623 -1.409 -2.056 0.00 0.00 -0.146 OA ATOM 17 O LIG 1 -1.480 0.997 -2.848 0.00 0.00 -0.146 OA BRANCH 15 20 ATOM 18 C LIG 1 -2.725 -1.815 0.561 0.00 0.00 +0.067 C ATOM 19 C LIG 1 -3.038 -0.370 0.428 0.00 0.00 +0.065 A ATOM 20 N LIG 1 -2.590 0.467 -0.594 0.00 0.00 -0.130 N ATOM 21 N LIG 1 -2.986 1.768 -0.403 0.00 0.00 -0.112 NA ATOM 22 C LIG 1 -3.756 1.685 0.665 0.00 0.00 +0.234 A ATOM 23 C LIG 1 -3.834 0.421 1.238 0.00 0.00 +0.093 A BRANCH 22 24 ATOM 24 O LIG 1 -4.323 2.821 1.054 0.00 0.00 -0.491 OA ATOM 25 H LIG 1 -4.059 3.484 0.392 0.00 0.00 +0.294 HD ENDBRANCH 22 24 ENDBRANCH 15 20 ENDBRANCH 1 15 TORSDOF 3