REMARK Name = BDB049355 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.156 -1.542 0.386 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -3.016 -2.309 0.102 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.749 -1.744 0.308 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.512 -2.292 0.100 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 0.362 -1.363 0.436 0.00 0.00 +0.111 A ATOM 6 N LIG 1 -0.284 -0.223 0.869 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -1.643 -0.442 0.785 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -2.762 0.348 1.071 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -4.021 -0.230 0.861 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -6.637 -0.469 -1.502 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -6.564 -1.653 -0.615 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -5.476 -2.100 0.181 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -5.954 -3.241 0.787 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -5.402 -4.221 1.744 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -7.233 -3.462 0.380 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -7.622 -2.465 -0.495 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 0.333 1.011 1.326 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 0.638 1.959 0.158 0.00 0.00 +0.106 C BRANCH 18 19 ATOM 19 N LIG 1 1.334 3.182 0.590 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 2.010 3.829 -0.559 0.00 0.00 +0.112 C ATOM 21 C LIG 1 2.328 5.304 -0.274 0.00 0.00 +0.175 C ATOM 22 O LIG 1 1.148 6.097 -0.088 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 0.035 5.344 0.407 0.00 0.00 +0.175 C ATOM 24 C LIG 1 0.451 4.149 1.281 0.00 0.00 +0.112 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 5 25 ATOM 25 C LIG 1 1.846 -1.530 0.335 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 2.293 -1.554 -1.128 0.00 0.00 +0.043 C BRANCH 26 27 ATOM 27 C LIG 1 3.796 -1.607 -1.247 0.00 0.00 -0.047 A ATOM 28 C LIG 1 4.548 -0.428 -1.308 0.00 0.00 +0.005 A ATOM 29 C LIG 1 5.942 -0.482 -1.391 0.00 0.00 +0.023 A ATOM 30 C LIG 1 6.608 -1.708 -1.454 0.00 0.00 +0.025 A ATOM 31 C LIG 1 5.861 -2.880 -1.327 0.00 0.00 +0.023 A ATOM 32 C LIG 1 4.466 -2.835 -1.244 0.00 0.00 +0.005 A BRANCH 30 33 ATOM 33 N LIG 1 8.007 -1.754 -1.417 0.00 0.00 -0.358 N ATOM 34 H LIG 1 8.453 -0.939 -1.825 0.00 0.00 +0.142 HD ATOM 35 H LIG 1 8.394 -2.623 -1.772 0.00 0.00 +0.142 HD ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 8