REMARK Name = BDB030387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.095 -0.428 -0.061 0.00 0.00 +0.063 A ATOM 2 C LIG 1 -1.607 0.799 0.426 0.00 0.00 +0.082 A ATOM 3 C LIG 1 -1.065 1.278 1.629 0.00 0.00 +0.180 A ATOM 4 F LIG 1 -1.469 2.449 2.146 0.00 0.00 -0.200 F ATOM 5 C LIG 1 -0.061 0.585 2.308 0.00 0.00 +0.164 A ATOM 6 F LIG 1 0.411 1.087 3.459 0.00 0.00 -0.202 F ATOM 7 C LIG 1 0.460 -0.612 1.814 0.00 0.00 -0.004 A ATOM 8 C LIG 1 -0.068 -1.116 0.617 0.00 0.00 +0.022 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 -1.878 -2.353 -1.321 0.00 0.00 -0.191 N ATOM 10 H LIG 1 -1.471 -2.968 -0.629 0.00 0.00 +0.183 HD ATOM 11 C LIG 1 -1.637 -0.994 -1.328 0.00 0.00 +0.269 C ATOM 12 O LIG 1 -1.870 -0.241 -2.270 0.00 0.00 -0.268 OA BRANCH 9 14 ATOM 13 C LIG 1 -3.444 -3.060 -2.858 0.00 0.00 +0.226 C ATOM 14 O LIG 1 -2.048 -2.934 -2.601 0.00 0.00 -0.283 OA ENDBRANCH 9 14 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 N LIG 1 -2.662 1.440 -0.262 0.00 0.00 -0.309 N ATOM 16 H LIG 1 -2.612 1.301 -1.281 0.00 0.00 +0.152 HD BRANCH 15 17 ATOM 17 C LIG 1 -3.689 2.319 0.124 0.00 0.00 +0.067 A ATOM 18 C LIG 1 -4.268 3.159 -0.843 0.00 0.00 +0.145 A ATOM 19 F LIG 1 -3.842 3.088 -2.115 0.00 0.00 -0.204 F ATOM 20 C LIG 1 -5.277 4.068 -0.533 0.00 0.00 +0.054 A ATOM 21 C LIG 1 -5.731 4.149 0.778 0.00 0.00 +0.016 A ATOM 22 I LIG 1 -7.235 5.494 1.272 0.00 0.00 -0.044 I ATOM 23 C LIG 1 -5.183 3.328 1.762 0.00 0.00 +0.016 A ATOM 24 C LIG 1 -4.168 2.419 1.433 0.00 0.00 +0.027 A ENDBRANCH 15 17 ENDBRANCH 2 15 BRANCH 7 25 ATOM 25 C LIG 1 1.553 -1.336 2.566 0.00 0.00 +0.076 C BRANCH 25 26 ATOM 26 C LIG 1 2.787 -1.618 1.745 0.00 0.00 -0.006 A ATOM 27 C LIG 1 3.607 -0.569 1.316 0.00 0.00 +0.149 A ATOM 28 F LIG 1 3.310 0.693 1.665 0.00 0.00 -0.203 F ATOM 29 C LIG 1 4.740 -0.806 0.532 0.00 0.00 +0.084 A ATOM 30 C LIG 1 5.062 -2.108 0.160 0.00 0.00 +0.027 A ATOM 31 C LIG 1 4.264 -3.169 0.593 0.00 0.00 +0.002 A ATOM 32 C LIG 1 3.133 -2.928 1.380 0.00 0.00 +0.007 A BRANCH 29 33 ATOM 33 N LIG 1 5.505 0.306 0.032 0.00 0.00 -0.204 N ATOM 34 H LIG 1 5.418 1.108 0.662 0.00 0.00 +0.175 HD BRANCH 33 35 ATOM 35 S LIG 1 5.043 0.857 -1.489 0.00 0.00 +0.107 S ATOM 36 O LIG 1 3.616 0.769 -1.656 0.00 0.00 -0.138 OA ATOM 37 O LIG 1 5.786 2.062 -1.752 0.00 0.00 -0.138 OA BRANCH 35 38 ATOM 38 N LIG 1 5.737 -0.319 -2.447 0.00 0.00 -0.191 NA ATOM 39 H LIG 1 5.295 -0.291 -3.366 0.00 0.00 +0.146 HD ATOM 40 H LIG 1 6.736 -0.127 -2.519 0.00 0.00 +0.146 HD ENDBRANCH 35 38 ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 9