REMARK Name = BDB037783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.339 -2.649 -0.765 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.727 -1.435 -0.174 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.011 -0.260 -0.316 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -0.758 0.758 0.323 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.870 0.233 0.862 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 1.265 -0.196 -1.092 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.948 -1.573 -0.895 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.808 -1.102 0.613 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.967 -2.700 -1.316 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.344 -3.617 -2.053 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -0.400 2.187 0.430 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -1.419 3.132 0.506 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -1.130 4.542 0.524 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -2.425 5.296 0.627 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -3.534 4.282 0.703 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -1.397 5.404 1.721 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -2.879 2.909 0.388 0.00 0.00 +0.180 C ATOM 18 O LIG 1 0.783 2.532 0.431 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.261 2.460 -0.967 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.574 2.111 -2.030 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.760 -1.911 1.369 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.999 -2.299 0.557 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.915 -3.195 1.373 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.183 -4.294 1.911 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -3.205 -3.877 2.860 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -2.128 -3.050 2.177 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.227 -1.722 -1.600 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.184 -2.200 -2.496 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 4.417 -1.083 -1.373 0.00 0.00 +0.245 C ATOM 30 O LIG 1 5.306 -1.097 -2.218 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 4.627 -0.353 -0.110 0.00 0.00 +0.047 A ATOM 32 C LIG 1 5.028 0.995 -0.143 0.00 0.00 +0.032 A ATOM 33 C LIG 1 5.194 1.674 1.060 0.00 0.00 +0.066 A ATOM 34 N LIG 1 5.546 2.951 0.707 0.00 0.00 -0.277 N ATOM 35 H LIG 1 5.739 3.732 1.324 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 5.648 3.148 -0.618 0.00 0.00 -0.181 NA ATOM 37 C LIG 1 5.012 1.070 2.309 0.00 0.00 +0.028 A ATOM 38 C LIG 1 4.665 -0.285 2.321 0.00 0.00 +0.003 A ATOM 39 C LIG 1 5.336 1.955 -1.133 0.00 0.00 +0.143 A ATOM 40 C LIG 1 4.481 -0.993 1.132 0.00 0.00 +0.014 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 1.020 0.126 -2.558 0.00 0.00 -0.001 C ATOM 42 C LIG 1 0.850 1.560 -3.002 0.00 0.00 +0.004 C ATOM 43 C LIG 1 2.074 0.790 -3.408 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -1.909 -3.389 -2.527 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -1.243 -3.713 -1.196 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7