REMARK Name = BDB043767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.763 -0.974 -2.171 0.00 0.00 +0.224 C ATOM 2 N LIG 1 0.041 -0.999 -1.063 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -0.369 -0.779 -0.155 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.325 -1.305 -3.278 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.431 -1.481 -1.080 0.00 0.00 +0.102 C BRANCH 5 6 ATOM 6 C LIG 1 2.395 -0.350 -1.578 0.00 0.00 +0.135 C BRANCH 6 7 ATOM 7 O LIG 1 1.936 0.186 -2.832 0.00 0.00 -0.390 OA ATOM 8 H LIG 1 1.299 -0.453 -3.218 0.00 0.00 +0.210 HD ENDBRANCH 6 7 BRANCH 6 9 ATOM 9 C LIG 1 3.836 -0.834 -1.823 0.00 0.00 +0.046 C BRANCH 9 10 ATOM 10 C LIG 1 4.970 0.201 -1.599 0.00 0.00 +0.080 C BRANCH 10 11 ATOM 11 C LIG 1 5.096 0.556 -0.111 0.00 0.00 +0.216 C ATOM 12 N LIG 1 6.246 1.239 0.220 0.00 0.00 -0.314 N ATOM 13 H LIG 1 6.894 1.510 -0.508 0.00 0.00 +0.149 HD ATOM 14 O LIG 1 4.253 0.248 0.728 0.00 0.00 -0.276 OA BRANCH 12 15 ATOM 15 C LIG 1 6.463 1.754 1.561 0.00 0.00 +0.119 C BRANCH 15 16 ATOM 16 C LIG 1 5.686 3.064 1.803 0.00 0.00 +0.102 C BRANCH 16 17 ATOM 17 N LIG 1 5.852 3.727 3.107 0.00 0.00 -0.307 NA ATOM 18 C LIG 1 7.227 4.140 3.369 0.00 0.00 +0.104 C ATOM 19 C LIG 1 5.324 2.922 4.207 0.00 0.00 +0.104 C ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 12 15 ENDBRANCH 10 11 BRANCH 10 20 ATOM 20 C LIG 1 5.018 1.453 -2.521 0.00 0.00 -0.005 C ATOM 21 C LIG 1 4.029 2.568 -2.175 0.00 0.00 +0.008 C ATOM 22 C LIG 1 4.929 1.089 -4.005 0.00 0.00 +0.008 C ENDBRANCH 10 20 ENDBRANCH 9 10 ENDBRANCH 6 9 ENDBRANCH 5 6 BRANCH 5 23 ATOM 23 C LIG 1 1.801 -2.010 0.323 0.00 0.00 +0.028 C BRANCH 23 24 ATOM 24 C LIG 1 0.904 -3.163 0.829 0.00 0.00 -0.009 C ATOM 25 C LIG 1 1.314 -3.581 2.249 0.00 0.00 +0.003 C ATOM 26 C LIG 1 0.376 -4.639 2.837 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -0.348 -5.473 1.778 0.00 0.00 +0.000 C ATOM 28 C LIG 1 0.527 -5.695 0.553 0.00 0.00 +0.000 C ATOM 29 C LIG 1 0.931 -4.378 -0.117 0.00 0.00 +0.003 C ENDBRANCH 23 24 ENDBRANCH 5 23 ENDBRANCH 2 5 BRANCH 1 30 ATOM 30 C LIG 1 -2.197 -0.467 -2.034 0.00 0.00 +0.147 C BRANCH 30 34 ATOM 31 C LIG 1 -4.480 1.906 1.613 0.00 0.00 +0.086 A ATOM 32 C LIG 1 -3.598 0.958 0.995 0.00 0.00 +0.183 A ATOM 33 N LIG 1 -3.435 0.991 -0.360 0.00 0.00 -0.282 N ATOM 34 C LIG 1 -2.595 -0.062 -0.648 0.00 0.00 +0.150 A ATOM 35 N LIG 1 -2.257 -0.650 0.489 0.00 0.00 -0.133 NA ATOM 36 C LIG 1 -4.085 1.951 -1.116 0.00 0.00 +0.123 A ATOM 37 C LIG 1 -4.883 2.838 -0.482 0.00 0.00 +0.089 A ATOM 38 N LIG 1 -2.891 -0.007 1.527 0.00 0.00 -0.128 NA ATOM 39 N LIG 1 -5.105 2.801 0.894 0.00 0.00 -0.246 NA BRANCH 37 40 ATOM 40 C LIG 1 -5.600 3.877 -1.253 0.00 0.00 +0.020 A ATOM 41 C LIG 1 -5.016 4.572 -2.312 0.00 0.00 +0.120 A ATOM 42 N LIG 1 -5.636 5.533 -3.043 0.00 0.00 -0.263 NA ATOM 43 C LIG 1 -6.899 5.844 -2.683 0.00 0.00 +0.111 A ATOM 44 C LIG 1 -7.571 5.233 -1.636 0.00 0.00 +0.020 A ATOM 45 C LIG 1 -6.909 4.239 -0.915 0.00 0.00 +0.013 A ENDBRANCH 37 40 BRANCH 31 46 ATOM 46 C LIG 1 -4.724 1.842 3.103 0.00 0.00 +0.059 C BRANCH 46 48 ATOM 47 C LIG 1 -7.117 0.985 2.962 0.00 0.00 +0.004 C ATOM 48 C LIG 1 -5.706 0.730 3.476 0.00 0.00 +0.003 C ENDBRANCH 46 48 ENDBRANCH 31 46 ENDBRANCH 30 34 BRANCH 30 49 ATOM 49 C LIG 1 -3.190 -1.467 -2.658 0.00 0.00 +0.057 C BRANCH 49 50 ATOM 50 C LIG 1 -3.188 -2.849 -2.058 0.00 0.00 -0.028 A ATOM 51 C LIG 1 -2.430 -3.873 -2.622 0.00 0.00 +0.114 A ATOM 52 N LIG 1 -2.378 -5.136 -2.141 0.00 0.00 -0.263 NA ATOM 53 C LIG 1 -3.111 -5.394 -1.039 0.00 0.00 +0.111 A ATOM 54 C LIG 1 -3.893 -4.448 -0.397 0.00 0.00 +0.020 A ATOM 55 C LIG 1 -3.933 -3.159 -0.918 0.00 0.00 +0.006 A ENDBRANCH 49 50 ENDBRANCH 30 49 ENDBRANCH 1 30 TORSDOF 19