REMARK Name = BDB037733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.402 -2.238 -0.040 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.124 -1.035 -0.104 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.542 0.204 -0.306 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.587 1.166 -0.268 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.753 0.546 -0.022 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.934 0.363 -0.543 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.601 -0.740 0.308 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.477 -0.781 -0.020 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.011 -2.135 -0.021 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.753 -3.112 -0.177 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.447 2.631 -0.451 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.579 3.439 -0.512 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -2.465 4.861 -0.724 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -3.832 5.475 -0.609 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.795 4.365 -0.284 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -2.744 5.863 0.355 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.006 3.044 -0.503 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.326 3.136 -0.557 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.411 2.426 -1.784 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.753 1.950 -2.788 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.592 -1.697 0.188 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -3.814 -1.971 1.675 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -4.877 -3.049 1.866 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.687 -3.230 0.704 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -6.107 -1.993 0.137 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.917 -1.252 -0.462 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 3.068 -0.770 0.289 0.00 0.00 -0.302 N ATOM 28 H LIG 1 3.486 -1.178 -0.546 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.778 -0.965 1.460 0.00 0.00 +0.237 C ATOM 30 O LIG 1 3.250 -0.902 2.569 0.00 0.00 -0.274 OA BRANCH 29 31 ATOM 31 C LIG 1 5.247 -1.395 1.270 0.00 0.00 +0.178 C ATOM 32 N LIG 1 5.954 -0.519 0.363 0.00 0.00 -0.285 N ATOM 33 C LIG 1 6.728 0.399 1.038 0.00 0.00 +0.113 A ATOM 34 N LIG 1 7.458 1.301 0.474 0.00 0.00 -0.242 NA ATOM 35 C LIG 1 7.442 1.296 -0.900 0.00 0.00 +0.118 A ATOM 36 C LIG 1 6.749 0.443 -1.664 0.00 0.00 +0.090 A ATOM 37 C LIG 1 6.588 0.177 2.512 0.00 0.00 +0.077 C ATOM 38 C LIG 1 5.914 -0.574 -0.997 0.00 0.00 +0.255 A ATOM 39 O LIG 1 5.230 -1.363 -1.638 0.00 0.00 -0.268 OA ATOM 40 C LIG 1 6.059 -1.259 2.559 0.00 0.00 +0.042 C ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 1.225 0.415 -2.037 0.00 0.00 -0.001 C ATOM 42 C LIG 1 1.974 -0.626 -2.835 0.00 0.00 +0.004 C ATOM 43 C LIG 1 2.607 0.712 -2.562 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -1.218 -3.982 -1.590 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -0.940 -3.589 -0.146 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7