REMARK Name = BDB014916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.224 0.632 0.364 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -2.408 1.302 0.766 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -2.731 2.066 2.001 0.00 0.00 +0.149 C ATOM 4 N LIG 1 -4.031 2.748 1.863 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -5.100 2.014 1.148 0.00 0.00 +0.116 C ATOM 6 C LIG 1 -4.694 1.614 -0.287 0.00 0.00 +0.074 C ATOM 7 C LIG 1 -4.289 3.715 2.808 0.00 0.00 +0.300 C ATOM 8 O LIG 1 -3.507 4.053 3.690 0.00 0.00 -0.253 OA ATOM 9 N LIG 1 -5.497 4.323 2.721 0.00 0.00 -0.313 N ATOM 10 H LIG 1 -5.777 4.587 1.788 0.00 0.00 +0.146 HD ATOM 11 H LIG 1 -5.578 5.084 3.385 0.00 0.00 +0.146 HD ATOM 12 C LIG 1 -3.306 1.094 -0.259 0.00 0.00 +0.048 A ATOM 13 N LIG 1 -2.655 0.358 -1.202 0.00 0.00 -0.261 N ATOM 14 N LIG 1 -1.396 0.063 -0.833 0.00 0.00 -0.155 NA ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 -3.179 -0.100 -2.479 0.00 0.00 +0.135 C ATOM 16 C LIG 1 -3.842 -1.468 -2.357 0.00 0.00 +0.186 C ATOM 17 O LIG 1 -3.063 -2.415 -3.108 0.00 0.00 -0.378 OA ATOM 18 C LIG 1 -1.819 -1.786 -3.438 0.00 0.00 +0.162 C ATOM 19 C LIG 1 -2.138 -0.313 -3.565 0.00 0.00 +0.057 C ENDBRANCH 13 15 BRANCH 1 20 ATOM 20 N LIG 1 -0.109 0.608 1.131 0.00 0.00 -0.296 N ATOM 21 H LIG 1 -0.125 1.101 2.020 0.00 0.00 +0.154 HD BRANCH 20 25 ATOM 22 C LIG 1 3.739 -1.148 0.677 0.00 0.00 -0.004 A ATOM 23 C LIG 1 2.781 -1.333 -0.339 0.00 0.00 +0.027 A ATOM 24 C LIG 1 1.498 -0.759 -0.188 0.00 0.00 +0.036 A ATOM 25 C LIG 1 1.154 0.003 0.933 0.00 0.00 +0.069 A ATOM 26 C LIG 1 2.138 0.173 1.917 0.00 0.00 +0.145 A ATOM 27 F LIG 1 1.849 0.898 3.011 0.00 0.00 -0.204 F ATOM 28 C LIG 1 3.407 -0.386 1.803 0.00 0.00 +0.049 A BRANCH 22 33 ATOM 29 C LIG 1 8.667 -1.589 0.504 0.00 0.00 +0.172 C ATOM 30 N LIG 1 7.254 -1.877 0.521 0.00 0.00 -0.274 N ATOM 31 N LIG 1 6.837 -3.152 0.431 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 5.506 -3.056 0.489 0.00 0.00 +0.142 A ATOM 33 C LIG 1 5.069 -1.717 0.595 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.231 -0.977 0.618 0.00 0.00 +0.116 A ENDBRANCH 22 33 BRANCH 23 35 ATOM 35 C LIG 1 3.077 -2.134 -1.584 0.00 0.00 +0.372 C ATOM 36 F LIG 1 2.161 -1.951 -2.580 0.00 0.00 -0.204 F ATOM 37 F LIG 1 3.088 -3.475 -1.345 0.00 0.00 -0.204 F ENDBRANCH 23 35 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 5