REMARK Name = BDB025175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.252 -1.847 1.012 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.889 -2.193 0.983 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.510 -3.604 1.205 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.547 -4.397 -0.108 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -3.177 -3.732 1.937 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -2.074 -3.059 1.153 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.469 -1.669 0.745 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.452 -0.746 0.404 0.00 0.00 +0.096 A ATOM 9 N LIG 1 -0.096 -0.934 0.392 0.00 0.00 -0.214 NA ATOM 10 C LIG 1 0.450 0.198 0.007 0.00 0.00 +0.202 A ATOM 11 N LIG 1 -0.540 1.145 -0.218 0.00 0.00 -0.308 N ATOM 12 C LIG 1 -1.765 0.545 0.015 0.00 0.00 +0.071 A ATOM 13 C LIG 1 -3.084 0.985 -0.069 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -4.091 0.062 0.256 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.826 -1.257 0.664 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.729 -0.722 0.920 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.374 2.547 -0.596 0.00 0.00 +0.091 C ATOM 18 C LIG 1 0.206 2.725 -2.013 0.00 0.00 +0.026 C ATOM 19 C LIG 1 1.156 3.921 -2.134 0.00 0.00 +0.017 C ATOM 20 C LIG 1 0.674 5.152 -1.363 0.00 0.00 +0.098 C ATOM 21 C LIG 1 0.390 4.859 0.121 0.00 0.00 +0.017 C ATOM 22 C LIG 1 0.367 3.368 0.469 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -0.544 5.735 -2.048 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.704 5.402 -1.875 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.227 6.680 -2.952 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.088 6.960 -3.328 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 -8.459 -2.649 1.213 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -7.061 -2.941 1.173 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 N LIG 1 1.768 0.476 -0.181 0.00 0.00 -0.268 N ATOM 30 H LIG 1 2.003 1.361 -0.600 0.00 0.00 +0.156 HD BRANCH 29 31 ATOM 31 C LIG 1 2.827 -0.331 0.084 0.00 0.00 +0.147 A ATOM 32 N LIG 1 2.840 -1.531 0.661 0.00 0.00 -0.158 NA ATOM 33 N LIG 1 4.124 -1.892 0.688 0.00 0.00 -0.279 N ATOM 34 H LIG 1 4.351 -2.795 1.089 0.00 0.00 +0.189 HD ATOM 35 C LIG 1 4.979 -0.962 0.156 0.00 0.00 +0.043 A ATOM 36 C LIG 1 4.151 0.069 -0.244 0.00 0.00 +0.068 A BRANCH 35 37 ATOM 37 C LIG 1 6.475 -1.170 0.094 0.00 0.00 +0.004 C ATOM 38 C LIG 1 6.797 -2.425 -0.739 0.00 0.00 +0.017 C ATOM 39 C LIG 1 7.041 -1.341 1.516 0.00 0.00 +0.017 C ATOM 40 C LIG 1 7.173 0.038 -0.562 0.00 0.00 +0.017 C ENDBRANCH 35 37 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7