REMARK Name = BDB055099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.784 -2.102 0.108 0.00 0.00 +0.077 A ATOM 2 C LIG 1 0.430 -1.813 -0.086 0.00 0.00 +0.108 A ATOM 3 C LIG 1 -0.594 -2.713 0.150 0.00 0.00 +0.180 A ATOM 4 N LIG 1 -1.812 -2.163 -0.128 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.573 -0.924 -0.529 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -0.387 -3.969 0.598 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 0.919 -4.266 0.798 0.00 0.00 +0.135 A ATOM 8 N LIG 1 -0.217 -0.684 -0.514 0.00 0.00 -0.335 N ATOM 9 H LIG 1 0.249 0.172 -0.769 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 2.004 -3.411 0.581 0.00 0.00 +0.082 A ATOM 11 CL LIG 1 3.583 -4.027 0.915 0.00 0.00 -0.080 Cl ENDROOT BRANCH 1 15 ATOM 12 N LIG 1 5.457 0.059 -0.536 0.00 0.00 -0.294 NA ATOM 13 C LIG 1 5.018 -0.582 0.728 0.00 0.00 +0.103 C ATOM 14 C LIG 1 3.493 -0.605 0.985 0.00 0.00 +0.120 C ATOM 15 N LIG 1 2.726 -1.120 -0.175 0.00 0.00 -0.325 N ATOM 16 C LIG 1 3.530 -1.374 -1.388 0.00 0.00 +0.120 C ATOM 17 C LIG 1 4.478 -0.176 -1.624 0.00 0.00 +0.103 C BRANCH 12 18 ATOM 18 C LIG 1 5.697 1.507 -0.380 0.00 0.00 +0.143 C BRANCH 18 23 ATOM 19 C LIG 1 10.364 1.782 1.698 0.00 0.00 +0.089 C ATOM 20 C LIG 1 8.954 1.845 1.278 0.00 0.00 +0.135 A ATOM 21 O LIG 1 8.122 2.581 2.062 0.00 0.00 -0.360 OA ATOM 22 N LIG 1 6.840 2.540 1.544 0.00 0.00 -0.082 NA ATOM 23 C LIG 1 6.916 1.771 0.448 0.00 0.00 +0.098 A ATOM 24 C LIG 1 8.238 1.312 0.236 0.00 0.00 +0.072 A ENDBRANCH 18 23 ENDBRANCH 12 18 ENDBRANCH 1 15 BRANCH 5 25 ATOM 25 C LIG 1 -2.589 0.056 -0.935 0.00 0.00 +0.018 A ATOM 26 C LIG 1 -3.938 -0.334 -0.954 0.00 0.00 +0.016 A ATOM 27 C LIG 1 -4.955 0.558 -1.329 0.00 0.00 -0.033 A ATOM 28 C LIG 1 -4.607 1.864 -1.695 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -3.273 2.268 -1.681 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -2.270 1.370 -1.304 0.00 0.00 +0.011 A BRANCH 27 31 ATOM 31 C LIG 1 -6.402 0.114 -1.344 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -7.255 0.883 -0.423 0.00 0.00 -0.294 NA ATOM 33 C LIG 1 -6.854 0.670 0.988 0.00 0.00 +0.113 C ATOM 34 C LIG 1 -8.009 0.956 1.960 0.00 0.00 +0.175 C ATOM 35 O LIG 1 -9.119 0.064 1.779 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 -9.236 -0.422 0.436 0.00 0.00 +0.175 C ATOM 37 C LIG 1 -8.686 0.561 -0.609 0.00 0.00 +0.113 C ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 5 25 TORSDOF 6