REMARK Name = BDB037866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.256 -2.335 -0.675 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.191 -1.348 -0.332 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.867 -0.016 -0.139 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.081 0.665 0.153 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.098 -0.213 0.147 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.537 0.485 -0.284 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.458 -0.674 0.169 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.551 -1.417 -0.146 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.109 -1.986 -0.578 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.015 -2.719 -0.996 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.252 2.108 0.439 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.526 2.674 0.406 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.715 4.086 0.621 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.188 4.376 0.648 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.909 3.068 0.470 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.343 4.636 1.866 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.819 2.032 0.074 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.275 2.814 0.697 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.928 1.713 -1.365 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -5.042 1.462 -2.494 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.459 -2.558 -0.155 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.374 -2.602 1.076 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.234 -3.862 1.048 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.429 -4.371 -0.273 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.610 -3.338 -1.236 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.294 -2.600 -1.444 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.889 -0.411 0.004 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.399 -1.098 -0.542 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.566 0.429 0.854 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.016 1.048 1.757 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.036 0.536 0.649 0.00 0.00 +0.040 A ATOM 32 C LIG 1 5.833 0.915 1.737 0.00 0.00 +0.062 A ATOM 33 C LIG 1 7.212 1.037 1.579 0.00 0.00 +0.163 A ATOM 34 O LIG 1 7.927 1.423 2.684 0.00 0.00 -0.485 OA ATOM 35 C LIG 1 9.246 1.852 2.329 0.00 0.00 +0.270 C ATOM 36 C LIG 1 9.884 0.871 1.359 0.00 0.00 +0.270 C ATOM 37 O LIG 1 9.158 0.834 0.125 0.00 0.00 -0.485 OA ATOM 38 C LIG 1 7.805 0.764 0.342 0.00 0.00 +0.162 A ATOM 39 C LIG 1 7.014 0.415 -0.750 0.00 0.00 +0.050 A ATOM 40 C LIG 1 5.629 0.303 -0.601 0.00 0.00 +0.017 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 0.845 0.922 -1.712 0.00 0.00 -0.001 C ATOM 42 C LIG 1 0.442 2.291 -2.208 0.00 0.00 +0.004 C ATOM 43 C LIG 1 1.893 1.974 -1.986 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -0.418 -4.759 -0.206 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -0.546 -3.648 -1.239 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7