REMARK Name = BDB048221 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.100 1.288 2.020 0.00 0.00 +0.002 A ATOM 2 C LIG 1 -0.901 1.033 0.891 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.239 0.604 1.039 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -2.727 0.434 2.336 0.00 0.00 +0.048 A ATOM 5 N LIG 1 -4.029 0.008 2.233 0.00 0.00 -0.354 N ATOM 6 H LIG 1 -4.626 -0.199 3.021 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -4.406 -0.106 0.919 0.00 0.00 +0.052 A ATOM 8 C LIG 1 -5.627 -0.508 0.354 0.00 0.00 -0.020 A ATOM 9 C LIG 1 -6.918 -0.909 1.013 0.00 0.00 +0.038 C ATOM 10 C LIG 1 -7.638 -1.613 -0.145 0.00 0.00 +0.009 C ATOM 11 C LIG 1 -7.141 -0.954 -1.441 0.00 0.00 +0.036 C ATOM 12 C LIG 1 -5.765 -0.534 -1.041 0.00 0.00 -0.029 A ATOM 13 C LIG 1 -4.707 -0.154 -1.822 0.00 0.00 +0.056 A ATOM 14 C LIG 1 -4.573 -0.060 -3.274 0.00 0.00 +0.260 A ATOM 15 O LIG 1 -5.439 -0.308 -4.088 0.00 0.00 -0.267 OA ATOM 16 N LIG 1 -3.305 0.366 -3.510 0.00 0.00 -0.289 N ATOM 17 H LIG 1 -2.933 0.539 -4.429 0.00 0.00 +0.172 HD ATOM 18 C LIG 1 -2.603 0.583 -2.362 0.00 0.00 +0.260 A ATOM 19 O LIG 1 -1.464 0.996 -2.290 0.00 0.00 -0.267 OA ATOM 20 C LIG 1 -3.496 0.239 -1.256 0.00 0.00 +0.062 A ATOM 21 C LIG 1 -1.956 0.671 3.478 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.301 0.272 0.134 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -0.637 1.100 3.297 0.00 0.00 +0.012 A ENDROOT BRANCH 1 27 ATOM 24 C LIG 1 3.208 1.875 0.738 0.00 0.00 +0.090 A ATOM 25 S LIG 1 3.547 2.851 2.113 0.00 0.00 -0.079 S ATOM 26 C LIG 1 1.970 2.539 2.708 0.00 0.00 +0.075 A ATOM 27 C LIG 1 1.279 1.730 1.827 0.00 0.00 +0.078 A ATOM 28 N LIG 1 1.992 1.373 0.693 0.00 0.00 -0.243 NA BRANCH 24 29 ATOM 29 C LIG 1 4.224 1.688 -0.337 0.00 0.00 +0.183 C BRANCH 29 30 ATOM 30 C LIG 1 5.144 0.538 -0.004 0.00 0.00 +0.314 C ATOM 31 O LIG 1 5.360 0.084 1.110 0.00 0.00 -0.250 OA BRANCH 30 32 ATOM 32 O LIG 1 5.754 0.120 -1.152 0.00 0.00 -0.459 OA BRANCH 32 34 ATOM 33 C LIG 1 6.047 -2.278 -0.666 0.00 0.00 +0.055 C ATOM 34 C LIG 1 6.706 -0.976 -1.134 0.00 0.00 +0.105 C ATOM 35 C LIG 1 7.942 -0.625 -0.299 0.00 0.00 +0.055 C ATOM 36 C LIG 1 7.135 -1.143 -2.600 0.00 0.00 +0.055 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 24 29 ENDBRANCH 1 27 TORSDOF 5