REMARK Name = BDB034200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.455 0.809 2.226 0.00 0.00 +0.190 C ATOM 2 C LIG 1 2.003 1.042 2.165 0.00 0.00 +0.097 C ATOM 3 C LIG 1 2.336 2.337 2.960 0.00 0.00 +0.022 C ATOM 4 C LIG 1 1.397 2.641 4.128 0.00 0.00 +0.002 C ATOM 5 C LIG 1 0.815 1.373 4.717 0.00 0.00 +0.004 C ATOM 6 C LIG 1 -0.014 0.618 3.683 0.00 0.00 +0.046 C ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 2.496 1.185 0.768 0.00 0.00 -0.295 NA ATOM 8 C LIG 1 2.656 -0.131 0.095 0.00 0.00 +0.094 C ATOM 9 C LIG 1 4.168 -0.116 0.403 0.00 0.00 +0.047 C ATOM 10 C LIG 1 3.964 1.386 0.678 0.00 0.00 +0.094 C BRANCH 9 11 ATOM 11 C LIG 1 5.201 -0.574 -0.714 0.00 0.00 -0.042 A ATOM 12 C LIG 1 6.211 -1.515 -0.438 0.00 0.00 +0.007 A ATOM 13 C LIG 1 7.136 -1.935 -1.405 0.00 0.00 +0.046 A ATOM 14 C LIG 1 7.080 -1.421 -2.696 0.00 0.00 +0.130 A ATOM 15 C LIG 1 6.090 -0.488 -3.001 0.00 0.00 +0.046 A ATOM 16 C LIG 1 5.172 -0.074 -2.029 0.00 0.00 +0.007 A BRANCH 14 17 ATOM 17 O LIG 1 7.906 -1.733 -3.736 0.00 0.00 -0.406 OA BRANCH 17 18 ATOM 18 C LIG 1 8.940 -2.672 -3.497 0.00 0.00 +0.575 C ATOM 19 F LIG 1 8.438 -3.872 -3.135 0.00 0.00 -0.133 F ATOM 20 F LIG 1 9.790 -2.232 -2.544 0.00 0.00 -0.133 F ATOM 21 F LIG 1 9.644 -2.840 -4.639 0.00 0.00 -0.133 F ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 22 ATOM 22 O LIG 1 0.092 -0.380 1.509 0.00 0.00 -0.487 OA BRANCH 22 29 ATOM 23 N LIG 1 -5.458 0.205 -0.610 0.00 0.00 -0.282 N ATOM 24 C LIG 1 -4.794 -0.897 -1.118 0.00 0.00 +0.248 C ATOM 25 O LIG 1 -5.185 -1.701 -1.940 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -3.463 -0.914 -0.502 0.00 0.00 +0.042 A ATOM 27 C LIG 1 -3.339 0.222 0.293 0.00 0.00 -0.015 A ATOM 28 C LIG 1 -2.168 0.467 0.997 0.00 0.00 +0.051 A ATOM 29 C LIG 1 -1.121 -0.455 0.884 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -1.272 -1.601 0.074 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.451 -1.841 -0.635 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -4.587 1.034 0.213 0.00 0.00 +0.144 C BRANCH 23 39 ATOM 33 O LIG 1 -8.688 -1.074 -4.303 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 -8.120 -0.589 -3.327 0.00 0.00 +0.219 C ATOM 35 N LIG 1 -7.379 0.556 -3.455 0.00 0.00 -0.255 N ATOM 36 H LIG 1 -7.287 0.909 -4.397 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 -6.653 1.216 -2.496 0.00 0.00 +0.240 C ATOM 38 O LIG 1 -5.922 2.159 -2.801 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 -6.755 0.696 -1.062 0.00 0.00 +0.163 C ATOM 40 C LIG 1 -7.936 -0.245 -0.836 0.00 0.00 +0.041 C ATOM 41 C LIG 1 -8.185 -1.229 -1.964 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 7