REMARK Name = BDB035328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.423 -0.977 0.471 0.00 0.00 +0.141 A ATOM 2 N LIG 1 0.744 -2.280 0.351 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -0.215 -3.199 0.088 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.548 -2.821 -0.042 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -1.917 -1.482 0.101 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -0.903 -0.558 0.371 0.00 0.00 +0.055 A ENDROOT BRANCH 1 15 ATOM 7 C LIG 1 2.331 2.231 0.260 0.00 0.00 +0.078 A ATOM 8 C LIG 1 3.550 1.881 0.899 0.00 0.00 +0.024 A ATOM 9 C LIG 1 3.683 0.599 1.381 0.00 0.00 +0.114 A ATOM 10 N LIG 1 4.927 0.495 1.943 0.00 0.00 -0.352 N ATOM 11 H LIG 1 5.292 -0.337 2.396 0.00 0.00 +0.166 HD ATOM 12 CA LIG 1 5.588 1.700 1.822 0.00 0.00 +0.043 A ATOM 13 C LIG 1 2.671 -0.439 1.311 0.00 0.00 +0.281 A ATOM 14 O LIG 1 2.877 -1.525 1.842 0.00 0.00 -0.265 OA ATOM 15 N LIG 1 1.475 -0.014 0.654 0.00 0.00 -0.265 N ATOM 16 C LIG 1 4.743 2.583 1.170 0.00 0.00 +0.035 A ATOM 17 C LIG 1 1.358 1.302 0.154 0.00 0.00 +0.115 A BRANCH 7 19 ATOM 18 N LIG 1 1.927 4.585 -0.727 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 2.136 3.534 -0.282 0.00 0.00 +0.101 C ENDBRANCH 7 19 BRANCH 12 20 ATOM 20 C LIG 1 6.968 1.872 2.336 0.00 0.00 +0.208 C BRANCH 20 21 ATOM 21 O LIG 1 6.936 1.519 3.709 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 6.324 2.142 4.138 0.00 0.00 +0.210 HD ENDBRANCH 20 21 ENDBRANCH 12 20 ENDBRANCH 1 15 BRANCH 5 23 ATOM 23 C LIG 1 -3.327 -1.066 -0.016 0.00 0.00 -0.005 A ATOM 24 C LIG 1 -3.781 -0.118 -0.962 0.00 0.00 +0.047 A ATOM 25 C LIG 1 -5.137 0.222 -1.060 0.00 0.00 +0.052 A ATOM 26 C LIG 1 -6.047 -0.358 -0.190 0.00 0.00 +0.124 A ATOM 27 F LIG 1 -7.341 -0.028 -0.274 0.00 0.00 -0.205 F ATOM 28 C LIG 1 -5.635 -1.276 0.767 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -4.286 -1.630 0.850 0.00 0.00 +0.012 A BRANCH 24 30 ATOM 30 C LIG 1 -2.851 0.503 -1.930 0.00 0.00 +0.247 C ATOM 31 N LIG 1 -2.566 1.831 -1.743 0.00 0.00 -0.292 N ATOM 32 C LIG 1 -3.192 2.884 -0.967 0.00 0.00 +0.146 C ATOM 33 C LIG 1 -2.234 3.862 -1.671 0.00 0.00 +0.200 C ATOM 34 F LIG 1 -2.800 4.988 -2.167 0.00 0.00 -0.242 F ATOM 35 C LIG 1 -1.939 2.744 -2.686 0.00 0.00 +0.146 C ATOM 36 O LIG 1 -2.362 -0.178 -2.822 0.00 0.00 -0.270 OA ENDBRANCH 24 30 ENDBRANCH 5 23 BRANCH 3 37 ATOM 37 C LIG 1 0.194 -4.646 -0.049 0.00 0.00 +0.038 C ATOM 38 C LIG 1 1.402 -5.009 -0.883 0.00 0.00 +0.010 C ATOM 39 C LIG 1 0.029 -5.360 -1.372 0.00 0.00 +0.010 C ENDBRANCH 3 37 TORSDOF 7