REMARK Name = BDB057972 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.088 -0.022 -0.084 0.00 0.00 +0.060 A ATOM 2 C LIG 1 -0.107 -1.297 0.505 0.00 0.00 +0.042 A ATOM 3 C LIG 1 -1.427 -1.782 0.592 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -2.515 -1.048 0.106 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -2.317 0.200 -0.490 0.00 0.00 +0.066 A ATOM 6 C LIG 1 -1.017 0.708 -0.578 0.00 0.00 +0.042 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -3.434 0.921 -1.002 0.00 0.00 -0.239 N ATOM 8 N LIG 1 -4.690 0.399 -0.909 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 -5.501 1.281 -1.509 0.00 0.00 +0.094 A ATOM 10 C LIG 1 -4.727 2.396 -1.970 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -5.183 3.524 -2.638 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -6.580 3.460 -2.832 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -7.404 2.366 -2.390 0.00 0.00 +0.061 A ATOM 14 C LIG 1 -6.889 1.234 -1.709 0.00 0.00 +0.045 A ATOM 15 C LIG 1 -3.428 2.149 -1.633 0.00 0.00 +0.123 A BRANCH 13 16 ATOM 16 C LIG 1 -8.871 2.379 -2.626 0.00 0.00 +0.337 C ATOM 17 O LIG 1 -9.665 1.554 -2.215 0.00 0.00 -0.245 OA BRANCH 16 18 ATOM 18 O LIG 1 -9.274 3.425 -3.369 0.00 0.00 -0.477 OA ATOM 19 H LIG 1 -10.243 3.298 -3.445 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 5 7 BRANCH 2 20 ATOM 20 N LIG 1 0.987 -2.097 0.932 0.00 0.00 -0.329 N ATOM 21 C LIG 1 0.777 -2.869 2.168 0.00 0.00 +0.105 C ATOM 22 C LIG 1 2.128 -3.393 2.661 0.00 0.00 +0.019 C ATOM 23 C LIG 1 3.000 -3.962 1.537 0.00 0.00 +0.003 C ATOM 24 C LIG 1 2.210 -4.175 0.253 0.00 0.00 +0.019 C ATOM 25 C LIG 1 1.520 -2.888 -0.211 0.00 0.00 +0.105 C ENDBRANCH 2 20 BRANCH 1 28 ATOM 26 N LIG 1 2.417 0.188 0.626 0.00 0.00 -0.281 N ATOM 27 H LIG 1 2.161 -0.645 1.158 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 1.423 0.664 -0.202 0.00 0.00 +0.250 C ATOM 29 O LIG 1 1.529 1.601 -0.988 0.00 0.00 -0.270 OA BRANCH 26 34 ATOM 30 C LIG 1 7.809 1.957 1.410 0.00 0.00 +0.044 C ATOM 31 C LIG 1 6.396 1.500 1.200 0.00 0.00 -0.050 A ATOM 32 C LIG 1 5.563 2.187 0.310 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.243 1.772 0.100 0.00 0.00 +0.023 A ATOM 34 C LIG 1 3.733 0.663 0.774 0.00 0.00 +0.034 A ATOM 35 C LIG 1 4.567 -0.024 1.664 0.00 0.00 +0.023 A ATOM 36 C LIG 1 5.888 0.388 1.874 0.00 0.00 +0.005 A ENDBRANCH 26 34 ENDBRANCH 1 28 TORSDOF 6