REMARK Name = BDB052315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.888 -2.634 -0.218 0.00 0.00 +0.100 A ATOM 2 C LIG 1 0.927 -2.296 -1.224 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.121 -3.409 -1.339 0.00 0.00 +0.117 A ATOM 4 N LIG 1 0.599 -4.313 -0.442 0.00 0.00 -0.271 N ATOM 5 N LIG 1 1.675 -3.884 0.235 0.00 0.00 -0.171 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 0.781 -1.131 -2.067 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -0.429 -0.410 -2.082 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -0.486 0.698 -2.917 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -1.724 1.262 -2.792 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -2.001 2.100 -3.278 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -2.494 0.554 -1.893 0.00 0.00 +0.049 A ATOM 12 N LIG 1 0.484 1.174 -3.720 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 1.625 0.450 -3.657 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -1.694 -0.482 -1.431 0.00 0.00 +0.038 A ATOM 15 C LIG 1 1.827 -0.677 -2.875 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -3.864 0.932 -1.542 0.00 0.00 -0.002 A ATOM 17 C LIG 1 -4.726 1.496 -2.492 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -6.034 1.855 -2.148 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -6.507 1.660 -0.845 0.00 0.00 -0.033 A ATOM 20 C LIG 1 -5.648 1.088 0.103 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -4.342 0.729 -0.242 0.00 0.00 +0.010 A BRANCH 19 22 ATOM 22 C LIG 1 -7.927 2.032 -0.472 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -8.014 2.957 0.671 0.00 0.00 -0.304 NA ATOM 24 C LIG 1 -7.497 4.284 0.327 0.00 0.00 +0.104 C ATOM 25 C LIG 1 -9.402 3.066 1.123 0.00 0.00 +0.104 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 11 16 ENDBRANCH 2 6 BRANCH 1 29 ATOM 26 C LIG 1 5.142 -0.305 1.341 0.00 0.00 +0.035 A ATOM 27 C LIG 1 5.261 -1.691 1.183 0.00 0.00 +0.024 A ATOM 28 C LIG 1 4.196 -2.445 0.676 0.00 0.00 +0.012 A ATOM 29 C LIG 1 2.991 -1.830 0.316 0.00 0.00 +0.003 A ATOM 30 C LIG 1 2.870 -0.447 0.493 0.00 0.00 +0.012 A ATOM 31 C LIG 1 3.938 0.309 0.997 0.00 0.00 +0.024 A BRANCH 26 35 ATOM 32 N LIG 1 7.574 2.121 2.627 0.00 0.00 -0.299 N ATOM 33 H LIG 1 7.584 3.122 2.786 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 6.412 1.730 2.023 0.00 0.00 +0.304 C ATOM 35 N LIG 1 6.258 0.381 1.862 0.00 0.00 -0.269 N ATOM 36 H LIG 1 7.062 -0.184 2.072 0.00 0.00 +0.156 HD ATOM 37 O LIG 1 5.624 2.607 1.685 0.00 0.00 -0.253 OA BRANCH 32 39 ATOM 38 C LIG 1 9.682 2.152 3.880 0.00 0.00 +0.024 C ATOM 39 C LIG 1 8.565 1.306 3.300 0.00 0.00 +0.102 C ENDBRANCH 32 39 ENDBRANCH 26 35 ENDBRANCH 1 29 BRANCH 4 40 ATOM 40 C LIG 1 0.070 -5.638 -0.184 0.00 0.00 +0.140 C ATOM 41 C LIG 1 0.824 -6.714 -0.946 0.00 0.00 +0.029 C ENDBRANCH 4 40 TORSDOF 8