REMARK Name = BDB059722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.209 -0.142 -0.042 0.00 0.00 +0.158 A ATOM 2 C LIG 1 1.793 -1.513 0.359 0.00 0.00 +0.270 A ATOM 3 O LIG 1 2.601 -2.414 0.565 0.00 0.00 -0.266 OA ATOM 4 N LIG 1 0.451 -1.743 0.511 0.00 0.00 -0.321 N ATOM 5 H LIG 1 0.197 -2.683 0.787 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -0.536 -0.788 0.255 0.00 0.00 +0.053 A ATOM 7 C LIG 1 -0.163 0.500 -0.160 0.00 0.00 +0.041 A ATOM 8 C LIG 1 -1.179 1.412 -0.481 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -2.525 1.056 -0.347 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -2.874 -0.218 0.096 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -1.879 -1.147 0.393 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.279 0.806 -0.262 0.00 0.00 +0.149 A ENDROOT BRANCH 1 14 ATOM 13 N LIG 1 4.734 0.376 -0.220 0.00 0.00 -0.191 NA ATOM 14 C LIG 1 3.600 0.132 -0.141 0.00 0.00 +0.108 C ENDBRANCH 1 14 BRANCH 12 15 ATOM 15 O LIG 1 1.644 2.105 -0.573 0.00 0.00 -0.505 OA ATOM 16 H LIG 1 0.991 2.720 -0.197 0.00 0.00 +0.292 HD ENDBRANCH 12 15 TORSDOF 2