REMARK Name = BDB035391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.277 0.373 0.658 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.088 0.568 0.905 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.669 1.356 1.628 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.813 -0.425 0.104 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.177 -0.630 0.010 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.634 -1.665 -0.819 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.699 -2.447 -1.537 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.310 -2.228 -1.427 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.890 -1.195 -0.593 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.491 -0.718 -0.282 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.772 1.501 1.473 0.00 0.00 -0.021 A ATOM 12 C LIG 1 -2.687 0.792 0.915 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -1.353 1.112 1.226 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.130 2.176 2.110 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.193 2.900 2.658 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.505 2.568 2.341 0.00 0.00 +0.006 A BRANCH 11 17 ATOM 17 C LIG 1 -5.215 1.122 1.119 0.00 0.00 +0.156 C BRANCH 17 20 ATOM 18 C LIG 1 -4.705 -1.234 3.129 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.754 -0.253 3.222 0.00 0.00 -0.319 N ATOM 20 C LIG 1 -6.016 0.797 2.371 0.00 0.00 +0.155 A ATOM 21 N LIG 1 -7.079 1.433 2.835 0.00 0.00 -0.133 NA ATOM 22 N LIG 1 -7.508 0.803 3.977 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.697 -0.201 4.201 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 N LIG 1 -5.834 2.201 0.319 0.00 0.00 -0.289 NA ATOM 25 C LIG 1 -5.274 2.262 -1.058 0.00 0.00 +0.086 C ATOM 26 C LIG 1 -6.709 2.523 -1.553 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -7.128 1.767 -0.277 0.00 0.00 +0.086 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 0.319 -3.059 -2.195 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -0.707 -3.496 -1.410 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.265 -2.362 -3.208 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.858 -4.173 -2.760 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.120 -1.908 -0.963 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.699 -0.937 -1.889 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.315 -1.095 -2.820 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.174 -0.912 -1.844 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.646 -0.072 -0.623 0.00 0.00 +0.022 C ATOM 37 C LIG 1 7.556 1.193 -1.500 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.631 0.278 -2.739 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.851 -2.235 -2.136 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8