REMARK Name = BDB024941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.024 0.330 -0.185 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.951 -0.575 -0.091 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.277 -2.004 -0.292 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.062 -2.567 0.905 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.066 -2.917 -0.533 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.027 -2.216 -1.381 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.596 -0.988 -0.633 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.244 -0.590 -0.568 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.143 -1.201 -1.106 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.896 -0.464 -0.767 0.00 0.00 +0.116 A ATOM 11 N LIG 1 -0.492 0.642 -0.036 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.879 0.559 0.123 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.824 1.345 0.790 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.166 0.947 0.714 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.572 -0.187 -0.001 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.197 -0.021 -0.306 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.356 1.710 0.464 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.456 1.721 2.001 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.859 3.091 2.569 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.756 3.857 1.593 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.051 4.141 0.265 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.003 3.090 -0.109 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.541 2.915 3.907 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -3.714 3.118 4.168 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.691 2.483 4.859 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.245 2.415 5.666 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 6.738 2.563 -0.387 0.00 0.00 +0.282 C ATOM 28 O LIG 1 5.660 1.644 -0.209 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.320 -0.799 -1.135 0.00 0.00 +0.073 C ATOM 30 C LIG 1 -2.704 -0.056 -2.422 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 -2.475 -2.324 -1.296 0.00 0.00 +0.154 C BRANCH 31 32 ATOM 32 N LIG 1 -3.849 -2.763 -1.121 0.00 0.00 -0.271 N ATOM 33 N LIG 1 -4.725 -2.676 -2.138 0.00 0.00 -0.176 NA ATOM 34 C LIG 1 -5.869 -3.146 -1.626 0.00 0.00 +0.060 A ATOM 35 C LIG 1 -7.091 -3.212 -2.463 0.00 0.00 +0.067 C ATOM 36 C LIG 1 -5.714 -3.536 -0.277 0.00 0.00 +0.044 A ATOM 37 C LIG 1 -4.397 -3.276 0.019 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7