REMARK Name = BDB021024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.618 5.911 0.391 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -0.826 4.551 0.826 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -1.785 4.238 0.840 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.048 4.032 1.827 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -0.359 2.734 2.194 0.00 0.00 -0.278 N ATOM 6 C LIG 1 -0.957 1.758 1.280 0.00 0.00 +0.164 C ATOM 7 C LIG 1 0.061 0.729 0.916 0.00 0.00 +0.064 A ATOM 8 N LIG 1 1.252 0.585 1.598 0.00 0.00 -0.328 N ATOM 9 C LIG 1 1.999 -0.379 0.971 0.00 0.00 +0.114 A ATOM 10 N LIG 1 1.325 -0.886 -0.043 0.00 0.00 -0.232 NA ATOM 11 C LIG 1 1.633 1.417 2.729 0.00 0.00 +0.142 C ATOM 12 C LIG 1 0.119 -0.226 -0.080 0.00 0.00 +0.094 A ATOM 13 C LIG 1 0.411 2.142 3.285 0.00 0.00 +0.131 C ATOM 14 O LIG 1 0.852 4.672 2.365 0.00 0.00 -0.253 OA ENDROOT BRANCH 12 15 ATOM 15 C LIG 1 -0.882 -0.495 -1.096 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -2.249 -0.554 -0.776 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -3.199 -0.800 -1.791 0.00 0.00 +0.028 A ATOM 18 C LIG 1 -4.614 -0.919 -1.884 0.00 0.00 +0.103 A ATOM 19 N LIG 1 -5.022 -1.112 -3.145 0.00 0.00 -0.170 NA ATOM 20 N LIG 1 -3.879 -1.172 -3.849 0.00 0.00 -0.266 N ATOM 21 C LIG 1 -3.932 -1.410 -5.272 0.00 0.00 +0.173 C ATOM 22 C LIG 1 -2.746 -0.980 -3.098 0.00 0.00 +0.069 A ATOM 23 C LIG 1 -1.388 -0.953 -3.441 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -0.469 -0.713 -2.414 0.00 0.00 +0.012 A BRANCH 18 25 ATOM 25 C LIG 1 -5.563 -0.830 -0.780 0.00 0.00 +0.040 A ATOM 26 C LIG 1 -5.396 -1.051 0.569 0.00 0.00 +0.118 A ATOM 27 N LIG 1 -6.622 -0.848 1.136 0.00 0.00 -0.274 N ATOM 28 C LIG 1 -6.968 -0.983 2.530 0.00 0.00 +0.172 C ATOM 29 N LIG 1 -7.573 -0.495 0.252 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 -6.929 -0.508 -0.920 0.00 0.00 +0.144 A ENDBRANCH 18 25 ENDBRANCH 12 15 BRANCH 9 31 ATOM 31 C LIG 1 3.404 -0.760 1.351 0.00 0.00 +0.058 C ATOM 32 C LIG 1 3.595 -2.287 1.291 0.00 0.00 +0.030 C ATOM 33 C LIG 1 4.250 -2.726 -0.013 0.00 0.00 +0.108 C ATOM 34 N LIG 1 5.568 -2.106 -0.170 0.00 0.00 -0.302 N ATOM 35 C LIG 1 6.580 -2.833 -0.783 0.00 0.00 +0.212 C ATOM 36 O LIG 1 6.410 -3.962 -1.243 0.00 0.00 -0.276 OA ATOM 37 C LIG 1 7.935 -2.176 -0.873 0.00 0.00 +0.109 C ATOM 38 C LIG 1 5.729 -0.741 0.330 0.00 0.00 +0.108 C ATOM 39 C LIG 1 4.400 -0.007 0.450 0.00 0.00 +0.030 C ENDBRANCH 9 31 TORSDOF 3