REMARK Name = BDB034149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.473 -1.042 -1.726 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -0.079 0.281 -1.347 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -1.371 0.251 -0.493 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -2.405 -0.602 -1.125 0.00 0.00 -0.327 N ATOM 5 C LIG 1 -1.913 -1.940 -1.509 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.618 -1.829 -2.349 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.674 -0.507 -0.528 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -4.321 0.747 -0.485 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -5.578 0.858 0.089 0.00 0.00 -0.016 A ATOM 10 C LIG 1 -6.454 2.056 0.242 0.00 0.00 +0.143 C ATOM 11 N LIG 1 -7.616 1.506 0.918 0.00 0.00 -0.296 N ATOM 12 C LIG 1 -7.513 0.146 1.148 0.00 0.00 +0.247 C ATOM 13 O LIG 1 -8.313 -0.600 1.677 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -8.755 2.316 1.268 0.00 0.00 +0.132 C ATOM 15 C LIG 1 -6.207 -0.264 0.616 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -5.630 -1.514 0.589 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -4.360 -1.626 0.007 0.00 0.00 +0.024 A ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 1.065 -1.760 -0.586 0.00 0.00 +0.121 C BRANCH 18 28 ATOM 19 C LIG 1 6.901 0.865 0.651 0.00 0.00 +0.019 A ATOM 20 C LIG 1 6.791 0.641 -0.829 0.00 0.00 +0.252 A ATOM 21 O LIG 1 7.699 0.941 -1.598 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 5.627 0.084 -1.291 0.00 0.00 -0.321 N ATOM 23 H LIG 1 5.567 -0.061 -2.289 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 4.558 -0.259 -0.456 0.00 0.00 +0.068 A ATOM 25 C LIG 1 4.649 -0.039 0.916 0.00 0.00 +0.088 A ATOM 26 N LIG 1 3.666 -0.340 1.792 0.00 0.00 -0.253 NA ATOM 27 C LIG 1 2.542 -0.882 1.266 0.00 0.00 +0.116 A ATOM 28 C LIG 1 2.347 -1.133 -0.092 0.00 0.00 -0.013 A ATOM 29 C LIG 1 3.394 -0.818 -0.968 0.00 0.00 +0.034 A ATOM 30 C LIG 1 5.870 0.547 1.456 0.00 0.00 +0.038 A BRANCH 19 32 ATOM 31 C LIG 1 9.312 0.477 1.244 0.00 0.00 +0.009 C ATOM 32 C LIG 1 8.173 1.484 1.162 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 4