REMARK Name = BDB064203 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.958 -0.532 -0.087 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.009 0.417 -0.123 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 -1.266 0.020 -0.064 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -1.634 -1.324 0.016 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -3.008 -1.653 0.094 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -3.989 -0.657 0.077 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.640 0.692 -0.003 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.571 -2.247 0.018 0.00 0.00 +0.136 A ATOM 9 C LIG 1 -2.267 0.988 -0.083 0.00 0.00 +0.051 A ATOM 10 N LIG 1 0.711 -1.848 -0.032 0.00 0.00 -0.212 NA ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -4.579 1.736 -0.037 0.00 0.00 -0.327 N ATOM 12 C LIG 1 -5.996 1.398 -0.288 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -6.827 2.679 -0.534 0.00 0.00 +0.103 C ATOM 14 N LIG 1 -6.729 3.639 0.587 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 -7.496 4.849 0.298 0.00 0.00 +0.105 C ATOM 16 C LIG 1 -5.304 3.967 0.813 0.00 0.00 +0.103 C ATOM 17 C LIG 1 -4.429 2.716 1.069 0.00 0.00 +0.120 C ENDBRANCH 7 11 BRANCH 1 21 ATOM 18 C LIG 1 5.100 0.723 -0.191 0.00 0.00 +0.033 A ATOM 19 C LIG 1 4.763 -0.620 0.000 0.00 0.00 +0.024 A ATOM 20 C LIG 1 3.421 -1.024 0.034 0.00 0.00 +0.013 A ATOM 21 C LIG 1 2.371 -0.103 -0.123 0.00 0.00 +0.019 A ATOM 22 C LIG 1 2.732 1.243 -0.312 0.00 0.00 +0.013 A ATOM 23 C LIG 1 4.074 1.651 -0.347 0.00 0.00 +0.024 A BRANCH 18 25 ATOM 24 C LIG 1 7.045 2.296 -0.388 0.00 0.00 +0.217 C ATOM 25 N LIG 1 6.472 1.046 -0.212 0.00 0.00 -0.286 N ATOM 26 H LIG 1 7.108 0.270 -0.083 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 6.453 3.354 -0.561 0.00 0.00 -0.275 OA BRANCH 24 29 ATOM 28 C LIG 1 9.227 3.568 -0.531 0.00 0.00 +0.013 C ATOM 29 C LIG 1 8.564 2.215 -0.342 0.00 0.00 +0.093 C ENDBRANCH 24 29 ENDBRANCH 18 25 ENDBRANCH 1 21 BRANCH 8 30 ATOM 30 N LIG 1 -0.863 -3.635 0.048 0.00 0.00 -0.282 N ATOM 31 H LIG 1 -1.537 -3.850 -0.674 0.00 0.00 +0.155 HD BRANCH 30 32 ATOM 32 C LIG 1 -0.049 -4.638 0.450 0.00 0.00 +0.146 A ATOM 33 N LIG 1 0.949 -4.574 1.334 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 1.422 -5.824 1.407 0.00 0.00 -0.280 N ATOM 35 H LIG 1 2.207 -6.000 2.024 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 0.747 -6.714 0.621 0.00 0.00 +0.035 A ATOM 37 C LIG 1 1.096 -8.148 0.564 0.00 0.00 +0.065 C ATOM 38 C LIG 1 -0.225 -5.968 -0.010 0.00 0.00 +0.068 A ENDBRANCH 30 32 ENDBRANCH 8 30 TORSDOF 6