REMARK Name = BDB061811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.677 -2.682 -0.723 0.00 0.00 +0.142 A ATOM 2 C LIG 1 0.777 -2.471 0.339 0.00 0.00 +0.078 A ATOM 3 C LIG 1 1.014 -1.355 1.154 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.110 -0.509 0.939 0.00 0.00 +0.013 A ATOM 5 C LIG 1 3.013 -0.744 -0.106 0.00 0.00 +0.021 A ATOM 6 C LIG 1 2.789 -1.852 -0.931 0.00 0.00 +0.059 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.134 0.183 -0.300 0.00 0.00 +0.139 A ATOM 8 N LIG 1 4.968 0.186 -1.396 0.00 0.00 -0.338 N ATOM 9 H LIG 1 4.902 -0.440 -2.184 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 5.858 1.224 -1.277 0.00 0.00 +0.067 A ATOM 11 C LIG 1 5.551 1.805 -0.050 0.00 0.00 +0.102 A ATOM 12 C LIG 1 6.303 2.915 0.369 0.00 0.00 +0.064 A ATOM 13 C LIG 1 7.324 3.410 -0.460 0.00 0.00 +0.015 A ATOM 14 C LIG 1 7.600 2.800 -1.686 0.00 0.00 +0.003 A ATOM 15 C LIG 1 6.872 1.687 -2.120 0.00 0.00 +0.028 A ATOM 16 N LIG 1 4.477 1.161 0.520 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 6.036 3.553 1.666 0.00 0.00 +0.244 C ATOM 18 O LIG 1 6.070 2.942 2.724 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 5.769 4.894 1.618 0.00 0.00 -0.325 N ATOM 20 H LIG 1 5.478 5.330 0.755 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 5.433 5.299 2.484 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 5 7 BRANCH 1 23 ATOM 22 C LIG 1 0.618 -3.330 -2.654 0.00 0.00 +0.277 C ATOM 23 O LIG 1 1.511 -3.722 -1.609 0.00 0.00 -0.493 OA ENDBRANCH 1 23 BRANCH 2 24 ATOM 24 N LIG 1 -0.327 -3.305 0.600 0.00 0.00 -0.269 N ATOM 25 C LIG 1 -0.109 -4.746 0.555 0.00 0.00 +0.138 C BRANCH 24 26 ATOM 26 C LIG 1 -1.669 -2.894 0.663 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -1.945 -1.583 0.571 0.00 0.00 -0.197 NA ATOM 28 C LIG 1 -3.218 -1.143 0.611 0.00 0.00 +0.149 A ATOM 29 N LIG 1 -3.434 0.229 0.544 0.00 0.00 -0.299 N ATOM 30 C LIG 1 -4.776 0.744 0.843 0.00 0.00 +0.158 C ATOM 31 C LIG 1 -5.919 -0.238 0.544 0.00 0.00 +0.240 C ATOM 32 N LIG 1 -5.629 -1.594 0.652 0.00 0.00 -0.269 N ATOM 33 C LIG 1 -6.709 -2.561 0.561 0.00 0.00 +0.138 C ATOM 34 O LIG 1 -7.058 0.184 0.316 0.00 0.00 -0.273 OA ATOM 35 C LIG 1 -4.859 1.122 2.324 0.00 0.00 +0.038 C ATOM 36 C LIG 1 -4.278 -2.035 0.711 0.00 0.00 +0.095 A ATOM 37 C LIG 1 -3.912 -3.365 0.798 0.00 0.00 +0.141 A ATOM 38 N LIG 1 -2.642 -3.812 0.779 0.00 0.00 -0.221 NA BRANCH 29 39 ATOM 39 C LIG 1 -2.381 1.065 -0.034 0.00 0.00 +0.076 C ATOM 40 C LIG 1 -2.546 1.221 -1.551 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -2.028 2.620 -1.891 0.00 0.00 +0.002 C ATOM 42 C LIG 1 -1.498 3.201 -0.586 0.00 0.00 +0.002 C ATOM 43 C LIG 1 -2.323 2.502 0.484 0.00 0.00 +0.022 C ENDBRANCH 29 39 ENDBRANCH 24 26 ENDBRANCH 2 24 TORSDOF 6