REMARK Name = BDB039203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.810 -1.533 -0.183 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.511 -2.010 -0.161 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.438 -1.023 -0.211 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.066 -1.570 0.095 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.847 -2.944 0.339 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.565 -3.420 0.639 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.459 -2.566 0.680 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.677 -1.208 0.415 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.150 -0.096 0.364 0.00 0.00 -0.324 N ATOM 10 C LIG 1 0.640 1.002 0.048 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.898 0.633 -0.095 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.016 -3.897 0.336 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.944 -0.714 0.129 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.166 -3.378 -0.522 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.108 -0.348 -0.092 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.201 2.434 -0.140 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -0.394 3.065 1.129 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -1.627 3.931 0.856 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -1.457 4.844 -0.361 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -1.010 4.093 -1.627 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.665 2.622 -1.389 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -0.506 5.973 -0.018 0.00 0.00 +0.308 C ATOM 23 O LIG 1 0.697 6.005 -0.206 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -1.131 7.004 0.584 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -0.410 7.645 0.763 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 9.084 -2.073 -0.334 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.731 -2.528 -0.316 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.596 -0.098 0.608 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -1.927 -0.520 2.045 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.353 -0.906 -0.468 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -3.850 -0.689 -0.444 0.00 0.00 -0.042 A ATOM 32 C LIG 1 -4.690 -1.601 0.224 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.072 -1.399 0.269 0.00 0.00 +0.155 A ATOM 34 C LIG 1 -6.606 -0.273 -0.364 0.00 0.00 +0.165 A ATOM 35 F LIG 1 -7.928 -0.048 -0.339 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -5.791 0.636 -1.032 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -4.414 0.429 -1.073 0.00 0.00 +0.007 A BRANCH 33 38 ATOM 38 O LIG 1 -6.978 -2.215 0.892 0.00 0.00 -0.492 OA ATOM 39 C LIG 1 -6.477 -3.386 1.522 0.00 0.00 +0.277 C ENDBRANCH 33 38 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8