REMARK Name = BDB065393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.243 -0.170 -2.980 0.00 0.00 -0.251 N ATOM 2 N LIG 1 1.388 1.118 -2.634 0.00 0.00 -0.065 NA ATOM 3 N LIG 1 0.230 1.523 -2.131 0.00 0.00 -0.130 NA ATOM 4 C LIG 1 -0.655 0.473 -2.175 0.00 0.00 +0.113 A ATOM 5 C LIG 1 -0.018 -0.620 -2.724 0.00 0.00 +0.138 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -2.027 0.554 -1.704 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -2.498 1.753 -1.150 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -3.813 1.864 -0.687 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -4.691 0.776 -0.769 0.00 0.00 -0.028 A ATOM 10 C LIG 1 -4.225 -0.424 -1.321 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -2.908 -0.533 -1.784 0.00 0.00 +0.010 A BRANCH 9 12 ATOM 12 C LIG 1 -6.108 0.897 -0.255 0.00 0.00 +0.161 C BRANCH 12 13 ATOM 13 N LIG 1 -6.176 0.877 1.207 0.00 0.00 -0.296 N ATOM 14 C LIG 1 -6.313 2.083 1.886 0.00 0.00 +0.330 A ATOM 15 O LIG 1 -6.402 3.181 1.341 0.00 0.00 -0.246 OA ATOM 16 N LIG 1 -6.349 1.990 3.253 0.00 0.00 -0.275 N ATOM 17 H LIG 1 -6.449 2.854 3.762 0.00 0.00 +0.173 HD ATOM 18 C LIG 1 -6.254 0.843 3.984 0.00 0.00 +0.254 A ATOM 19 O LIG 1 -6.294 0.822 5.208 0.00 0.00 -0.268 OA ATOM 20 C LIG 1 -6.099 -0.398 3.210 0.00 0.00 +0.088 A ATOM 21 C LIG 1 -6.066 -0.325 1.878 0.00 0.00 +0.096 A ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 4 6 BRANCH 1 22 ATOM 22 C LIG 1 2.346 -0.899 -3.565 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 3.456 -1.242 -2.569 0.00 0.00 +0.024 C BRANCH 23 24 ATOM 24 C LIG 1 2.993 -2.210 -1.473 0.00 0.00 +0.006 C BRANCH 24 25 ATOM 25 C LIG 1 4.136 -2.679 -0.564 0.00 0.00 +0.035 C BRANCH 25 29 ATOM 26 C LIG 1 5.965 0.488 1.740 0.00 0.00 +0.059 A ATOM 27 C LIG 1 4.633 0.130 1.972 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.044 -0.897 1.229 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.774 -1.574 0.243 0.00 0.00 -0.047 A ATOM 30 C LIG 1 6.109 -1.212 0.018 0.00 0.00 +0.004 A ATOM 31 C LIG 1 6.701 -0.187 0.760 0.00 0.00 +0.015 A BRANCH 26 33 ATOM 32 O LIG 1 7.786 1.938 2.353 0.00 0.00 -0.245 OA ATOM 33 C LIG 1 6.635 1.570 2.501 0.00 0.00 +0.337 C BRANCH 33 34 ATOM 34 O LIG 1 5.833 2.140 3.417 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 6.397 2.829 3.827 0.00 0.00 +0.295 HD ENDBRANCH 33 34 ENDBRANCH 26 33 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10