REMARK Name = BDB039018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.746 -2.720 0.276 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.064 -1.740 -0.423 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.609 -1.742 -0.330 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.944 -0.495 -0.856 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.683 0.547 -1.463 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.042 1.703 -1.930 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.656 1.858 -1.837 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.930 0.814 -1.251 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.418 0.624 -0.987 0.00 0.00 -0.320 N ATOM 10 C LIG 1 -0.562 -0.635 -0.429 0.00 0.00 +0.142 A ATOM 11 N LIG 1 0.616 -1.205 -0.266 0.00 0.00 -0.227 NA ATOM 12 C LIG 1 5.185 0.438 -1.557 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.544 -0.338 -0.775 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.649 -1.015 -1.544 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.220 -3.484 1.077 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.815 -1.268 -0.027 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -2.152 -1.340 1.332 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -3.352 -1.940 1.744 0.00 0.00 -0.036 A ATOM 19 C LIG 1 -4.202 -2.489 0.775 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -3.854 -2.452 -0.576 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -2.661 -1.851 -0.975 0.00 0.00 +0.011 A BRANCH 18 22 ATOM 22 C LIG 1 -3.710 -2.007 3.210 0.00 0.00 +0.155 C BRANCH 22 23 ATOM 23 C LIG 1 -3.544 -3.376 3.824 0.00 0.00 +0.309 C ATOM 24 O LIG 1 -3.537 -4.459 3.265 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.450 -3.316 5.171 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.351 -4.255 5.437 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 28 ATOM 27 C LIG 1 7.812 -3.742 0.689 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.075 -2.746 -0.020 0.00 0.00 -0.454 OA ENDBRANCH 1 28 BRANCH 9 29 ATOM 29 C LIG 1 -1.450 1.634 -1.245 0.00 0.00 +0.091 C ATOM 30 C LIG 1 -2.235 1.325 -2.523 0.00 0.00 +0.031 C BRANCH 29 31 ATOM 31 C LIG 1 -2.357 1.913 -0.028 0.00 0.00 +0.060 C BRANCH 31 32 ATOM 32 C LIG 1 -3.036 3.263 -0.095 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -2.333 4.427 0.246 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -2.953 5.675 0.171 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.280 5.771 -0.245 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -4.988 4.620 -0.585 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.370 3.370 -0.510 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 9 29 TORSDOF 8