REMARK Name = BDB027387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.475 -1.195 -0.799 0.00 0.00 +0.071 A ATOM 2 N LIG 1 1.899 -1.997 0.126 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.770 -1.552 0.729 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.136 -0.334 0.465 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.724 0.471 -0.521 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.904 0.028 -1.148 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.118 -2.732 -2.559 0.00 0.00 +0.155 A ATOM 8 C LIG 1 5.902 -1.358 -2.435 0.00 0.00 +0.165 A ATOM 9 F LIG 1 6.832 -0.490 -2.864 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.734 -0.847 -1.867 0.00 0.00 +0.052 A ATOM 11 C LIG 1 3.724 -1.704 -1.403 0.00 0.00 +0.003 A ATOM 12 C LIG 1 3.956 -3.088 -1.524 0.00 0.00 +0.014 A ATOM 13 C LIG 1 5.132 -3.599 -2.095 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 7.561 -4.495 -3.246 0.00 0.00 +0.277 C ATOM 15 O LIG 1 7.302 -3.102 -3.135 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -1.051 0.074 1.103 0.00 0.00 -0.326 N ATOM 17 C LIG 1 -2.245 -0.541 0.446 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -3.570 -0.137 1.165 0.00 0.00 +0.075 C ATOM 19 C LIG 1 -3.486 -0.611 2.650 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.069 -0.940 3.132 0.00 0.00 +0.021 C ATOM 21 C LIG 1 -1.021 0.015 2.579 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 C LIG 1 -4.850 -0.718 0.539 0.00 0.00 +0.063 A ATOM 23 N LIG 1 -6.010 -0.423 1.202 0.00 0.00 -0.252 NA ATOM 24 C LIG 1 -7.184 -0.882 0.697 0.00 0.00 +0.074 A ATOM 25 C LIG 1 -8.438 -0.543 1.441 0.00 0.00 +0.068 C ATOM 26 C LIG 1 -7.246 -1.638 -0.464 0.00 0.00 +0.144 A ATOM 27 F LIG 1 -8.418 -2.080 -0.939 0.00 0.00 -0.204 F ATOM 28 C LIG 1 -6.074 -1.935 -1.140 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -4.859 -1.469 -0.638 0.00 0.00 +0.028 A ENDBRANCH 18 22 BRANCH 18 30 ATOM 30 N LIG 1 -3.675 1.350 1.124 0.00 0.00 -0.319 NA ATOM 31 H LIG 1 -2.910 1.746 1.664 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 -4.544 1.603 1.599 0.00 0.00 +0.119 HD ENDBRANCH 18 30 ENDBRANCH 4 16 BRANCH 5 33 ATOM 33 C LIG 1 0.166 1.823 -0.893 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 N LIG 1 0.741 2.873 -0.076 0.00 0.00 -0.310 N ATOM 35 C LIG 1 1.908 3.544 -0.320 0.00 0.00 +0.166 A ATOM 36 C LIG 1 2.006 4.465 0.712 0.00 0.00 +0.147 A ATOM 37 C LIG 1 3.138 5.297 0.707 0.00 0.00 +0.147 A ATOM 38 N LIG 1 4.054 5.137 -0.275 0.00 0.00 -0.219 NA ATOM 39 C LIG 1 3.822 4.202 -1.222 0.00 0.00 +0.225 A ATOM 40 N LIG 1 0.928 4.363 1.570 0.00 0.00 -0.231 NA ATOM 41 N LIG 1 2.776 3.356 -1.329 0.00 0.00 -0.216 NA ATOM 42 C LIG 1 0.183 3.407 1.055 0.00 0.00 +0.202 A BRANCH 37 43 ATOM 43 N LIG 1 3.375 6.266 1.674 0.00 0.00 -0.341 N ATOM 44 H LIG 1 4.356 6.497 1.746 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 2.862 6.106 2.533 0.00 0.00 +0.144 HD ENDBRANCH 37 43 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8