REMARK Name = BDB030962 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.194 -2.146 -0.556 0.00 0.00 +0.090 A ATOM 2 C LIG 1 0.619 -3.067 -1.487 0.00 0.00 +0.099 A ATOM 3 C LIG 1 1.951 -2.969 -1.815 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.788 -2.048 -1.300 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 2.276 -1.176 -0.427 0.00 0.00 +0.216 A ATOM 6 N LIG 1 1.003 -1.199 -0.030 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.282 0.777 0.210 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -4.396 -0.566 0.655 0.00 0.00 +0.062 A ATOM 9 C LIG 1 -3.273 -1.415 0.535 0.00 0.00 +0.059 A ATOM 10 C LIG 1 -2.085 -0.989 -0.069 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -1.171 -2.088 -0.059 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -1.789 -3.123 0.611 0.00 0.00 +0.093 A ATOM 13 C LIG 1 -2.009 0.332 -0.549 0.00 0.00 +0.012 A ATOM 14 N LIG 1 -3.046 -2.708 0.963 0.00 0.00 -0.359 N ATOM 15 H LIG 1 -3.697 -3.268 1.496 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -3.098 1.199 -0.396 0.00 0.00 +0.025 A BRANCH 7 18 ATOM 17 C LIG 1 -5.520 2.955 0.017 0.00 0.00 +0.404 C ATOM 18 N LIG 1 -5.375 1.654 0.400 0.00 0.00 -0.250 N ATOM 19 H LIG 1 -6.154 1.302 0.956 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 -4.744 3.639 -0.632 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 -7.006 4.760 0.148 0.00 0.00 +0.282 C ATOM 22 O LIG 1 -6.721 3.400 0.477 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 -5.683 -1.058 1.217 0.00 0.00 +0.164 C ATOM 24 O LIG 1 -6.361 -0.319 1.928 0.00 0.00 -0.292 OA ATOM 25 C LIG 1 -6.160 -2.440 0.855 0.00 0.00 +0.092 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 26 ATOM 26 C LIG 1 -0.247 -4.098 -2.108 0.00 0.00 +0.421 C ATOM 27 F LIG 1 -0.546 -5.121 -1.260 0.00 0.00 -0.166 F ATOM 28 F LIG 1 0.334 -4.694 -3.190 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -1.437 -3.620 -2.564 0.00 0.00 -0.166 F ENDBRANCH 2 26 BRANCH 5 30 ATOM 30 N LIG 1 3.055 -0.175 0.129 0.00 0.00 -0.309 N ATOM 31 H LIG 1 2.540 0.135 0.948 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 4.465 -0.506 0.361 0.00 0.00 +0.087 C ATOM 33 C LIG 1 4.979 0.258 1.611 0.00 0.00 +0.103 C ATOM 34 N LIG 1 4.973 1.718 1.417 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 4.010 2.004 1.222 0.00 0.00 +0.123 HD ATOM 36 C LIG 1 5.803 2.078 0.246 0.00 0.00 +0.019 C ATOM 37 C LIG 1 6.305 3.498 0.169 0.00 0.00 +0.024 C ATOM 38 C LIG 1 7.262 2.384 0.483 0.00 0.00 +0.024 C ATOM 39 C LIG 1 5.404 1.399 -1.050 0.00 0.00 +0.024 C ATOM 40 C LIG 1 5.322 -0.118 -0.859 0.00 0.00 +0.025 C ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7