REMARK Name = BDB027233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.550 0.670 0.379 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.510 0.296 -0.571 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.687 1.060 -0.688 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.892 2.173 0.125 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.960 2.561 1.026 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.837 1.813 1.133 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.113 3.003 0.063 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.372 2.458 -0.264 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -6.517 3.260 -0.320 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -6.419 4.617 -0.045 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -7.516 5.383 -0.099 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -5.200 5.187 0.289 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -4.058 4.383 0.345 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 C LIG 1 3.103 -0.147 0.018 0.00 0.00 +0.038 C ATOM 15 C LIG 1 1.765 0.629 -0.192 0.00 0.00 +0.127 C ATOM 16 N LIG 1 0.648 -0.068 0.513 0.00 0.00 -0.327 N ATOM 17 C LIG 1 0.943 -0.495 1.905 0.00 0.00 +0.105 C ATOM 18 C LIG 1 2.230 0.116 2.441 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.441 -0.127 1.532 0.00 0.00 +0.025 C BRANCH 14 20 ATOM 20 N LIG 1 2.899 -1.561 -0.414 0.00 0.00 -0.323 NA ATOM 21 H LIG 1 2.764 -1.587 -1.425 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 2.002 -1.869 -0.032 0.00 0.00 +0.119 HD ENDBRANCH 14 20 BRANCH 14 23 ATOM 23 C LIG 1 4.209 0.531 -0.834 0.00 0.00 +0.080 C BRANCH 23 27 ATOM 24 C LIG 1 8.842 0.743 0.533 0.00 0.00 +0.172 C ATOM 25 N LIG 1 7.635 0.152 0.008 0.00 0.00 -0.274 N ATOM 26 N LIG 1 6.517 0.895 -0.075 0.00 0.00 -0.176 NA ATOM 27 C LIG 1 5.604 0.054 -0.583 0.00 0.00 +0.065 A ATOM 28 C LIG 1 6.161 -1.222 -0.834 0.00 0.00 +0.044 A ATOM 29 C LIG 1 7.473 -1.125 -0.439 0.00 0.00 +0.108 A ENDBRANCH 23 27 ENDBRANCH 14 23 ENDBRANCH 1 16 BRANCH 2 30 ATOM 30 C LIG 1 -1.345 -0.924 -1.442 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 -2.042 -2.066 -0.884 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -3.314 -2.465 -1.189 0.00 0.00 +0.166 A ATOM 33 C LIG 1 -3.510 -3.618 -0.446 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -4.761 -4.245 -0.573 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -5.686 -3.683 -1.385 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 -5.351 -2.559 -2.056 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -2.389 -3.918 0.303 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 -4.190 -1.874 -2.021 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -1.526 -2.968 0.007 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 -5.103 -5.405 0.108 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -6.104 -5.509 0.206 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -4.528 -5.574 0.926 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 8