REMARK Name = BDB034524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.771 2.813 0.578 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 -5.907 -0.227 0.476 0.00 0.00 -0.282 N ATOM 3 C LIG 1 -5.724 0.496 1.646 0.00 0.00 +0.248 C ATOM 4 O LIG 1 -6.464 0.562 2.608 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -4.439 1.192 1.517 0.00 0.00 +0.042 A ATOM 6 C LIG 1 -3.856 0.809 0.311 0.00 0.00 -0.015 A ATOM 7 C LIG 1 -2.621 1.315 -0.066 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -1.981 2.215 0.794 0.00 0.00 +0.121 A ATOM 9 C LIG 1 -2.596 2.595 2.006 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -3.838 2.079 2.385 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -4.740 -0.165 -0.395 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 -8.690 -4.648 -1.164 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -8.253 -3.620 -0.655 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -7.310 -3.668 0.340 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -6.960 -4.596 0.540 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.449 -2.648 0.673 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -5.358 -2.898 1.181 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -6.955 -1.232 0.347 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -7.588 -1.240 -1.041 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -8.728 -2.247 -1.069 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 0.076 2.344 -0.490 0.00 0.00 +0.190 C ATOM 22 C LIG 1 1.556 2.532 -0.012 0.00 0.00 +0.097 C ATOM 23 C LIG 1 2.056 3.919 -0.468 0.00 0.00 +0.022 C ATOM 24 C LIG 1 2.060 4.087 -1.990 0.00 0.00 +0.002 C ATOM 25 C LIG 1 0.938 3.317 -2.685 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -0.263 3.131 -1.770 0.00 0.00 +0.046 C BRANCH 22 27 ATOM 27 N LIG 1 2.441 1.472 -0.553 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 2.194 0.170 0.131 0.00 0.00 +0.090 C ATOM 29 C LIG 1 3.731 -0.049 0.122 0.00 0.00 +0.020 C ATOM 30 C LIG 1 3.779 1.502 0.103 0.00 0.00 +0.090 C BRANCH 29 31 ATOM 31 C LIG 1 4.338 -0.757 1.338 0.00 0.00 -0.005 C ATOM 32 C LIG 1 3.963 -2.251 1.337 0.00 0.00 +0.006 C ATOM 33 C LIG 1 5.117 -3.185 0.967 0.00 0.00 +0.032 C ATOM 34 C LIG 1 5.977 -2.616 -0.159 0.00 0.00 +0.124 C ATOM 35 C LIG 1 6.605 -1.277 0.252 0.00 0.00 +0.032 C ATOM 36 C LIG 1 5.856 -0.554 1.375 0.00 0.00 +0.006 C BRANCH 34 37 ATOM 37 O LIG 1 6.985 -3.580 -0.462 0.00 0.00 -0.319 OA BRANCH 37 38 ATOM 38 C LIG 1 7.515 -3.429 -1.766 0.00 0.00 +0.483 C ATOM 39 F LIG 1 8.163 -2.245 -1.849 0.00 0.00 -0.178 F ATOM 40 F LIG 1 8.441 -4.401 -1.943 0.00 0.00 -0.178 F ENDBRANCH 37 38 ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 22 27 ENDBRANCH 1 21 TORSDOF 7