REMARK Name = BDB009742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.547 -0.025 0.743 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -0.850 -0.420 0.374 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.780 0.749 -0.064 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.519 1.975 0.807 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.050 2.432 0.729 0.00 0.00 +0.055 C ATOM 6 C LIG 1 0.075 3.624 1.703 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.855 1.278 1.178 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.872 1.525 1.833 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.929 -1.517 -0.690 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.314 -1.374 -1.943 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.423 -2.375 -2.913 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.173 -3.517 -2.651 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -1.302 -4.749 -3.841 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.817 -3.665 -1.426 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.700 -2.669 -0.453 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.263 0.377 -0.048 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.962 0.288 -1.265 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.308 -0.076 -1.285 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -6.141 -0.181 -2.788 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.982 -0.356 -0.100 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.303 -0.271 1.115 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.953 0.092 1.142 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.557 -1.072 1.144 0.00 0.00 +0.094 C BRANCH 23 25 ATOM 24 C LIG 1 1.962 -3.163 2.573 0.00 0.00 +0.006 C ATOM 25 C LIG 1 0.978 -2.399 1.688 0.00 0.00 +0.021 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.610 -1.321 0.027 0.00 0.00 +0.133 C BRANCH 26 27 ATOM 27 N LIG 1 3.419 -0.157 -0.295 0.00 0.00 -0.262 N ATOM 28 C LIG 1 3.334 0.596 -1.434 0.00 0.00 +0.403 C ATOM 29 O LIG 1 2.506 0.497 -2.326 0.00 0.00 -0.226 OA ATOM 30 O LIG 1 4.342 1.520 -1.443 0.00 0.00 -0.449 OA ATOM 31 C LIG 1 4.864 1.600 -0.109 0.00 0.00 +0.253 C ATOM 32 C LIG 1 4.537 0.260 0.497 0.00 0.00 +0.152 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 33 ATOM 33 C LIG 1 0.337 2.820 -0.724 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 1.654 3.553 -0.925 0.00 0.00 +0.306 C ATOM 35 O LIG 1 2.270 4.191 -0.086 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 2.092 3.483 -2.207 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 1.648 2.807 -2.759 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9