REMARK Name = BDB038395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.315 1.358 1.451 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.932 1.146 1.505 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -2.090 1.755 0.582 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.582 2.607 -0.336 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.909 2.866 -0.393 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.793 2.248 0.486 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.710 1.464 0.573 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.216 2.018 -0.310 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.105 2.849 -1.192 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.509 1.390 -0.005 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.326 0.477 1.026 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.392 -0.262 1.504 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.650 -0.060 0.922 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.837 0.871 -0.127 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.740 1.608 -0.599 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.105 0.470 1.444 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.202 1.059 -0.748 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.341 0.435 -2.065 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 4.586 0.770 -2.663 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 5.325 -1.029 -2.062 0.00 0.00 +0.084 C BRANCH 20 21 ATOM 21 C LIG 1 6.517 -1.673 -1.348 0.00 0.00 +0.003 C ATOM 22 C LIG 1 7.880 -1.283 -1.921 0.00 0.00 +0.005 C ATOM 23 C LIG 1 8.827 -2.373 -1.427 0.00 0.00 +0.000 C ATOM 24 C LIG 1 7.952 -3.581 -1.091 0.00 0.00 +0.000 C ATOM 25 C LIG 1 6.534 -3.195 -1.494 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -5.231 -0.768 2.512 0.00 0.00 +0.030 A ATOM 27 C LIG 1 -5.239 0.645 2.360 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.166 1.388 3.121 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -7.048 0.761 4.002 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -7.010 -0.618 4.142 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -7.853 -1.218 4.992 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -6.110 -1.385 3.415 0.00 0.00 +0.050 A BRANCH 26 35 ATOM 33 C LIG 1 -5.352 -1.498 -0.527 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -4.362 -1.914 0.430 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.309 -1.628 1.772 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -3.249 -2.232 2.279 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -2.591 -2.883 1.262 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -3.274 -2.686 0.160 0.00 0.00 +0.225 A ENDBRANCH 26 35 ENDBRANCH 1 27 BRANCH 5 39 ATOM 39 C LIG 1 -4.412 3.834 -1.438 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -3.823 3.814 -2.830 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -5.223 3.326 -2.609 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 8