REMARK Name = BDB053369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.510 -2.489 0.074 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -0.141 -2.685 0.286 0.00 0.00 -0.294 N ATOM 3 O LIG 1 -2.293 -3.433 -0.056 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 4 C LIG 1 -3.482 -0.875 0.238 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -1.985 -1.047 -0.152 0.00 0.00 +0.096 C ATOM 6 C LIG 1 -1.683 -0.674 -1.616 0.00 0.00 +0.094 C ATOM 7 N LIG 1 -2.647 -1.187 -2.591 0.00 0.00 -0.315 NA ATOM 8 H LIG 1 -2.612 -2.210 -2.583 0.00 0.00 +0.122 HD ATOM 9 C LIG 1 -4.005 -0.766 -2.256 0.00 0.00 +0.081 C ATOM 10 C LIG 1 -4.426 -1.317 -0.900 0.00 0.00 +0.024 C BRANCH 4 16 ATOM 11 C LIG 1 -5.310 4.155 2.445 0.00 0.00 +0.152 C ATOM 12 N LIG 1 -4.803 2.926 1.856 0.00 0.00 -0.318 N ATOM 13 C LIG 1 -3.675 2.973 1.044 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -3.041 3.988 0.767 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -3.221 1.668 0.484 0.00 0.00 +0.074 A ATOM 16 C LIG 1 -3.873 0.521 0.742 0.00 0.00 -0.037 A ATOM 17 C LIG 1 -5.038 0.579 1.614 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -5.458 1.741 2.128 0.00 0.00 +0.089 A ENDBRANCH 4 16 ENDBRANCH 1 5 BRANCH 2 19 ATOM 19 C LIG 1 0.381 -4.027 0.099 0.00 0.00 +0.077 C ATOM 20 C LIG 1 0.214 -4.756 -1.213 0.00 0.00 +0.024 C ATOM 21 C LIG 1 1.569 -4.286 -0.793 0.00 0.00 +0.024 C ENDBRANCH 2 19 BRANCH 2 22 ATOM 22 C LIG 1 0.602 -1.855 1.247 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 1.664 -1.052 0.567 0.00 0.00 -0.002 A ATOM 24 C LIG 1 3.070 -1.345 0.547 0.00 0.00 +0.040 A ATOM 25 C LIG 1 3.708 -0.342 -0.192 0.00 0.00 +0.052 A ATOM 26 C LIG 1 5.096 -0.352 -0.414 0.00 0.00 +0.026 A ATOM 27 C LIG 1 5.851 -1.395 0.133 0.00 0.00 +0.005 A ATOM 28 C LIG 1 5.244 -2.399 0.879 0.00 0.00 +0.039 A ATOM 29 N LIG 1 2.731 0.550 -0.582 0.00 0.00 -0.342 N ATOM 30 C LIG 1 3.866 -2.377 1.087 0.00 0.00 +0.133 A ATOM 31 F LIG 1 3.309 -3.359 1.812 0.00 0.00 -0.205 F ATOM 32 C LIG 1 1.505 0.138 -0.121 0.00 0.00 +0.092 A BRANCH 29 33 ATOM 33 C LIG 1 2.939 1.746 -1.397 0.00 0.00 +0.158 C BRANCH 33 34 ATOM 34 C LIG 1 3.634 2.851 -0.652 0.00 0.00 -0.010 A ATOM 35 C LIG 1 3.192 3.295 0.592 0.00 0.00 +0.116 A ATOM 36 N LIG 1 3.763 4.304 1.286 0.00 0.00 -0.263 NA ATOM 37 C LIG 1 4.825 4.911 0.718 0.00 0.00 +0.111 A ATOM 38 C LIG 1 5.339 4.558 -0.517 0.00 0.00 +0.020 A ATOM 39 C LIG 1 4.730 3.517 -1.212 0.00 0.00 +0.008 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 7