REMARK Name = BDB028076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.573 0.741 0.588 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.068 -0.072 -0.337 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.264 -1.135 -0.828 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.316 0.611 -0.698 0.00 0.00 +0.045 A ATOM 5 C LIG 1 2.304 0.205 -1.561 0.00 0.00 +0.038 A ATOM 6 C LIG 1 3.374 1.077 -1.693 0.00 0.00 +0.056 A ATOM 7 N LIG 1 3.453 2.267 -1.017 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 2.457 2.643 -0.170 0.00 0.00 +0.050 A ATOM 9 C LIG 1 1.375 1.808 -0.001 0.00 0.00 +0.004 A ATOM 10 C LIG 1 0.168 1.964 0.853 0.00 0.00 +0.153 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.461 1.348 2.604 0.00 0.00 +0.217 A ATOM 12 N LIG 1 -2.264 1.518 2.012 0.00 0.00 -0.198 NA ATOM 13 C LIG 1 -1.812 0.524 1.217 0.00 0.00 +0.132 A ATOM 14 C LIG 1 -2.547 -0.644 1.023 0.00 0.00 +0.048 A ATOM 15 C LIG 1 -3.802 -0.839 1.638 0.00 0.00 -0.028 A ATOM 16 C LIG 1 -4.251 0.222 2.437 0.00 0.00 +0.071 A BRANCH 15 17 ATOM 17 C LIG 1 -4.680 -2.196 1.383 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -3.903 -3.536 1.583 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -4.431 -3.666 2.931 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.492 -2.731 2.605 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.430 -1.997 0.055 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -6.299 -3.091 -0.463 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -6.920 -3.055 -1.688 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.851 -2.008 -2.672 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -7.621 -4.215 -1.799 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -7.453 -4.929 -0.712 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.621 -4.225 0.123 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 15 17 BRANCH 11 28 ATOM 28 O LIG 1 -3.988 2.345 3.399 0.00 0.00 -0.477 OA BRANCH 28 30 ATOM 29 C LIG 1 -3.147 4.504 2.668 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -3.082 3.404 3.714 0.00 0.00 +0.227 C ENDBRANCH 28 30 ENDBRANCH 11 28 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.583 3.950 0.571 0.00 0.00 +0.038 C ATOM 32 C LIG 1 3.097 5.178 -0.145 0.00 0.00 +0.010 C ATOM 33 C LIG 1 1.653 5.099 0.248 0.00 0.00 +0.010 C ENDBRANCH 8 31 BRANCH 6 34 ATOM 34 C LIG 1 4.538 0.721 -2.604 0.00 0.00 +0.139 C BRANCH 34 35 ATOM 35 N LIG 1 5.288 -0.479 -2.183 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 5.955 -0.279 -0.890 0.00 0.00 +0.088 C ATOM 37 C LIG 1 6.715 -1.543 -0.447 0.00 0.00 +0.000 C ATOM 38 C LIG 1 5.754 -2.670 -0.048 0.00 0.00 +0.009 C ATOM 39 C LIG 1 7.702 -2.028 -1.523 0.00 0.00 +0.006 C ATOM 40 C LIG 1 7.649 -1.175 -2.784 0.00 0.00 +0.016 C ATOM 41 C LIG 1 6.210 -0.924 -3.242 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9