REMARK Name = BDB023086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.229 -2.808 -1.092 0.00 0.00 +0.023 C ATOM 2 C LIG 1 -0.587 -2.146 -2.426 0.00 0.00 +0.148 C ATOM 3 C LIG 1 -1.580 -1.048 -2.041 0.00 0.00 +0.166 C ATOM 4 C LIG 1 -2.462 -1.740 -0.994 0.00 0.00 +0.120 C ATOM 5 C LIG 1 -1.558 -2.780 -0.302 0.00 0.00 +0.034 C ENDROOT BRANCH 4 6 ATOM 6 N LIG 1 -3.099 -0.778 -0.110 0.00 0.00 -0.328 N ATOM 7 C LIG 1 -4.389 -0.339 -0.188 0.00 0.00 +0.124 A ATOM 8 C LIG 1 -4.618 0.614 0.775 0.00 0.00 +0.064 A ATOM 9 C LIG 1 -5.936 1.222 0.879 0.00 0.00 +0.203 A ATOM 10 N LIG 1 -6.909 0.795 -0.017 0.00 0.00 -0.215 NA ATOM 11 C LIG 1 -6.584 -0.109 -0.888 0.00 0.00 +0.200 A ATOM 12 N LIG 1 -6.132 2.122 1.792 0.00 0.00 -0.064 NA ATOM 13 C LIG 1 -3.402 0.781 1.476 0.00 0.00 +0.033 A ATOM 14 N LIG 1 -5.356 -0.714 -1.044 0.00 0.00 -0.332 N ATOM 15 H LIG 1 -5.253 -1.433 -1.751 0.00 0.00 +0.168 HD ATOM 16 C LIG 1 -2.478 -0.076 0.904 0.00 0.00 +0.089 A BRANCH 12 17 ATOM 17 O LIG 1 -7.452 2.605 1.754 0.00 0.00 -0.395 OA ATOM 18 C LIG 1 -7.611 3.559 2.793 0.00 0.00 +0.313 C ENDBRANCH 12 17 ENDBRANCH 4 6 BRANCH 2 19 ATOM 19 O LIG 1 -1.248 -3.105 -3.258 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -1.709 -2.572 -3.939 0.00 0.00 +0.210 HD ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 O LIG 1 -2.329 -0.638 -3.188 0.00 0.00 -0.387 OA ATOM 22 H LIG 1 -2.853 0.140 -2.915 0.00 0.00 +0.210 HD ENDBRANCH 3 21 BRANCH 1 23 ATOM 23 C LIG 1 0.883 -2.076 -0.320 0.00 0.00 +0.011 C BRANCH 23 24 ATOM 24 C LIG 1 2.259 -2.226 -0.980 0.00 0.00 +0.035 C BRANCH 24 31 ATOM 25 C LIG 1 5.738 2.460 0.798 0.00 0.00 +0.119 A ATOM 26 N LIG 1 4.801 1.810 0.082 0.00 0.00 -0.232 NA ATOM 27 C LIG 1 4.574 0.509 0.342 0.00 0.00 +0.073 A ATOM 28 C LIG 1 5.273 -0.198 1.339 0.00 0.00 +0.001 A ATOM 29 C LIG 1 4.998 -1.556 1.574 0.00 0.00 +0.010 A ATOM 30 C LIG 1 4.029 -2.218 0.822 0.00 0.00 +0.004 A ATOM 31 C LIG 1 3.329 -1.533 -0.174 0.00 0.00 -0.045 A ATOM 32 C LIG 1 6.233 0.499 2.078 0.00 0.00 +0.013 A ATOM 33 C LIG 1 3.614 -0.175 -0.393 0.00 0.00 +0.032 A ATOM 34 C LIG 1 6.464 1.843 1.806 0.00 0.00 +0.044 A BRANCH 25 36 ATOM 35 C LIG 1 7.257 4.160 0.077 0.00 0.00 +0.127 C ATOM 36 N LIG 1 5.905 3.810 0.482 0.00 0.00 -0.332 N ATOM 37 H LIG 1 5.240 3.964 -0.276 0.00 0.00 +0.147 HD ENDBRANCH 25 36 ENDBRANCH 24 31 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8