REMARK Name = BDB038586 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.688 1.227 -0.413 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.399 0.799 -0.756 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.325 1.054 0.089 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.497 1.764 1.219 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.721 2.226 1.563 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.830 1.965 0.764 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.045 0.545 -0.209 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.095 0.747 0.568 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.282 1.383 1.589 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.181 -0.001 -0.080 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.670 -0.635 -1.207 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.489 -1.412 -2.005 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.836 -1.536 -1.643 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.355 -0.895 -0.492 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.507 -0.107 0.300 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.219 -0.324 -1.345 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.818 -1.042 -0.138 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.644 -0.270 -1.061 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 6.385 0.713 -1.005 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 8.072 -0.429 -0.819 0.00 0.00 +0.084 C BRANCH 20 21 ATOM 21 C LIG 1 8.508 0.282 0.425 0.00 0.00 +0.003 C ATOM 22 C LIG 1 9.869 -0.008 1.008 0.00 0.00 +0.005 C ATOM 23 C LIG 1 8.632 -0.444 1.741 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 -5.162 -0.438 -1.649 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -4.859 0.889 -1.252 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.708 1.922 -1.695 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -6.813 1.658 -2.511 0.00 0.00 +0.019 A ATOM 28 C LIG 1 -7.092 0.351 -2.910 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -6.266 -0.691 -2.484 0.00 0.00 +0.031 A BRANCH 24 32 ATOM 30 C LIG 1 -4.910 -1.713 1.209 0.00 0.00 +0.152 C ATOM 31 N LIG 1 -4.222 -2.107 0.009 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -4.341 -1.582 -1.254 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -3.552 -2.268 -2.061 0.00 0.00 -0.129 NA ATOM 34 N LIG 1 -2.889 -3.216 -1.319 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 -3.304 -3.109 -0.079 0.00 0.00 +0.225 A ENDBRANCH 24 32 BRANCH 28 36 ATOM 36 C LIG 1 -8.220 0.080 -3.753 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -9.141 -0.135 -4.426 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 1 25 BRANCH 5 38 ATOM 38 C LIG 1 -2.859 3.028 2.835 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -2.110 2.604 4.077 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -3.600 2.450 4.020 0.00 0.00 +0.010 C ENDBRANCH 5 38 TORSDOF 9