REMARK Name = BDB032135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.465 0.588 0.313 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.401 0.734 -0.569 0.00 0.00 +0.248 C ATOM 3 O LIG 1 3.276 1.528 -1.480 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.395 -0.265 -0.197 0.00 0.00 +0.045 A ATOM 5 C LIG 1 2.837 -0.904 0.953 0.00 0.00 +0.017 A ATOM 6 C LIG 1 2.063 -1.888 1.523 0.00 0.00 +0.129 A ATOM 7 C LIG 1 0.847 -2.234 0.930 0.00 0.00 +0.045 A ATOM 8 C LIG 1 0.406 -1.587 -0.247 0.00 0.00 -0.007 A ATOM 9 F LIG 1 2.465 -2.506 2.639 0.00 0.00 -0.205 F ATOM 10 C LIG 1 1.195 -0.573 -0.814 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.135 -0.336 1.400 0.00 0.00 +0.147 C ENDROOT BRANCH 1 18 ATOM 12 O LIG 1 8.973 -0.733 -0.123 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.028 0.045 -0.017 0.00 0.00 +0.219 C ATOM 14 N LIG 1 7.706 0.597 1.196 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.297 0.324 1.970 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 6.545 1.252 1.534 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.268 1.447 2.717 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 5.565 1.558 0.391 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.359 1.671 -0.916 0.00 0.00 +0.041 C ATOM 20 C LIG 1 7.129 0.386 -1.179 0.00 0.00 +0.098 C ENDBRANCH 1 18 BRANCH 8 21 ATOM 21 C LIG 1 -0.925 -1.946 -0.858 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 -1.907 -1.081 -0.285 0.00 0.00 -0.445 OA BRANCH 22 23 ATOM 23 C LIG 1 -3.166 -1.308 -0.742 0.00 0.00 +0.405 C ATOM 24 N LIG 1 -4.004 -0.420 -0.130 0.00 0.00 -0.251 N ATOM 25 H LIG 1 -3.531 0.203 0.511 0.00 0.00 +0.158 HD ATOM 26 O LIG 1 -3.448 -2.168 -1.561 0.00 0.00 -0.226 OA BRANCH 24 27 ATOM 27 C LIG 1 -5.394 -0.282 -0.287 0.00 0.00 +0.043 A ATOM 28 C LIG 1 -6.028 0.723 0.458 0.00 0.00 +0.069 A ATOM 29 C LIG 1 -7.410 0.938 0.365 0.00 0.00 +0.131 A ATOM 30 C LIG 1 -8.169 0.127 -0.472 0.00 0.00 +0.084 A ATOM 31 C LIG 1 -7.537 -0.870 -1.210 0.00 0.00 +0.129 A ATOM 32 F LIG 1 -8.273 -1.646 -2.017 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -6.163 -1.081 -1.130 0.00 0.00 +0.062 A BRANCH 29 34 ATOM 34 O LIG 1 -7.881 1.954 1.149 0.00 0.00 -0.434 OA BRANCH 34 35 ATOM 35 C LIG 1 -9.227 2.353 0.945 0.00 0.00 +0.541 C ATOM 36 F LIG 1 -9.444 3.448 1.716 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -10.054 1.383 1.406 0.00 0.00 -0.166 F ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 7