REMARK Name = BDB024880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.188 1.792 -0.489 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.547 0.567 -0.220 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.353 -0.663 -0.007 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.143 -0.607 1.315 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.545 -1.971 0.019 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.438 -1.953 -1.008 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.546 -0.786 -0.704 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.142 -0.881 -0.832 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.404 -1.980 -1.167 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.855 -1.597 -1.155 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.963 -0.241 -0.853 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.318 0.220 -0.604 0.00 0.00 +0.069 A ATOM 13 C LIG 1 0.870 1.441 -0.215 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.264 1.528 -0.080 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.117 0.447 -0.332 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.635 2.850 -0.781 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.231 0.496 -0.819 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.742 0.800 0.597 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.437 2.213 1.109 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.840 3.270 0.081 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.153 3.063 -1.263 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.342 1.658 -1.823 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.168 2.475 2.416 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.174 1.889 2.783 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.598 3.455 3.152 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.798 3.853 2.760 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.258 2.917 -0.664 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.551 1.694 -0.434 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.993 -2.537 -1.417 0.00 0.00 +0.130 C BRANCH 29 30 ATOM 30 C LIG 1 -2.834 -2.825 -0.193 0.00 0.00 +0.052 A ATOM 31 N LIG 1 -4.161 -2.555 -0.283 0.00 0.00 -0.216 NA ATOM 32 C LIG 1 -4.931 -2.831 0.800 0.00 0.00 +0.234 A ATOM 33 C LIG 1 -4.426 -3.354 1.988 0.00 0.00 +0.102 A ATOM 34 CL LIG 1 -5.420 -3.699 3.351 0.00 0.00 -0.078 Cl ATOM 35 C LIG 1 -3.066 -3.634 2.057 0.00 0.00 +0.027 A ATOM 36 C LIG 1 -2.257 -3.378 0.952 0.00 0.00 +0.025 A BRANCH 32 37 ATOM 37 O LIG 1 -6.295 -2.609 0.719 0.00 0.00 -0.479 OA ATOM 38 C LIG 1 -6.721 -2.099 -0.539 0.00 0.00 +0.279 C ENDBRANCH 32 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7