REMARK Name = BDB039436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.563 0.460 -0.412 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.198 0.925 0.843 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.893 1.448 1.692 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.761 0.671 0.988 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.326 -0.015 -0.138 0.00 0.00 -0.017 A ATOM 6 C LIG 1 0.998 -0.388 -0.257 0.00 0.00 +0.016 A ATOM 7 C LIG 1 0.083 -0.060 0.767 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.571 0.633 1.905 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.915 1.006 2.025 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.473 -0.261 -1.059 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 10.049 -0.073 -0.773 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 8.832 0.094 -0.741 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.997 -0.901 -0.304 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.447 -1.751 0.014 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.621 -0.929 -0.336 0.00 0.00 +0.240 C ATOM 16 O LIG 1 6.016 -1.960 -0.037 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.937 0.332 -0.892 0.00 0.00 +0.163 C ATOM 18 C LIG 1 6.805 1.563 -0.625 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.176 1.358 -1.255 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -1.340 -0.455 0.644 0.00 0.00 +0.074 A ATOM 21 N LIG 1 -1.546 -1.634 0.008 0.00 0.00 -0.227 NA ATOM 22 C LIG 1 -2.840 -1.984 -0.091 0.00 0.00 +0.162 A ATOM 23 C LIG 1 -3.948 -1.277 0.361 0.00 0.00 +0.112 A ATOM 24 N LIG 1 -5.110 -1.968 0.095 0.00 0.00 -0.234 NA ATOM 25 C LIG 1 -4.723 -3.064 -0.520 0.00 0.00 +0.202 A ATOM 26 C LIG 1 -3.732 -0.041 0.991 0.00 0.00 -0.002 A ATOM 27 N LIG 1 -3.364 -3.114 -0.657 0.00 0.00 -0.307 N ATOM 28 C LIG 1 -2.382 0.346 1.130 0.00 0.00 +0.035 A BRANCH 27 29 ATOM 29 C LIG 1 -2.662 -4.224 -1.304 0.00 0.00 +0.141 C ATOM 30 C LIG 1 -1.648 -3.819 -2.371 0.00 0.00 +0.187 C ATOM 31 O LIG 1 -0.647 -4.682 -1.769 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 -1.444 -4.761 -0.558 0.00 0.00 +0.187 C ENDBRANCH 27 29 BRANCH 26 33 ATOM 33 C LIG 1 -4.852 0.842 1.482 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -5.270 1.840 0.490 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -6.536 2.475 0.860 0.00 0.00 +0.085 C ATOM 36 C LIG 1 -6.605 3.699 -0.046 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.162 3.972 -0.455 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -4.333 2.947 0.310 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 7 20 TORSDOF 5