REMARK Name = BDB038584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.872 -0.631 0.562 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -2.249 -1.791 -0.008 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.558 -2.117 -0.108 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.544 -1.242 0.337 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.189 -0.026 0.925 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.822 0.254 1.059 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.121 0.065 0.463 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.081 -0.817 0.138 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.784 -0.414 0.406 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.529 -1.143 0.173 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.499 -0.317 0.626 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.005 0.948 1.137 0.00 0.00 +0.151 C ATOM 13 O LIG 1 0.523 -2.252 -0.328 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.481 0.818 0.972 0.00 0.00 -0.018 A ATOM 15 C LIG 1 2.490 1.706 1.295 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.812 1.321 1.041 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.562 -0.328 0.219 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.213 0.607 -0.695 0.00 0.00 -0.307 NA ATOM 19 H LIG 1 5.634 0.714 -1.528 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 7.582 0.236 -1.099 0.00 0.00 +0.076 C ATOM 21 C LIG 1 8.520 0.036 0.096 0.00 0.00 +0.026 C BRANCH 20 22 ATOM 22 C LIG 1 7.632 -0.968 -2.067 0.00 0.00 +0.177 C BRANCH 22 24 ATOM 23 C LIG 1 9.038 -2.182 -3.519 0.00 0.00 +0.194 C ATOM 24 O LIG 1 8.963 -1.136 -2.561 0.00 0.00 -0.381 OA ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 25 ATOM 25 C LIG 1 -5.219 0.935 1.372 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -5.236 2.292 0.964 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -6.219 3.168 1.462 0.00 0.00 +0.031 A ATOM 28 C LIG 1 -7.199 2.714 2.347 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -7.201 1.376 2.743 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -6.222 0.501 2.264 0.00 0.00 +0.010 A BRANCH 26 31 ATOM 31 C LIG 1 -4.232 2.856 0.061 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -4.057 2.560 -1.267 0.00 0.00 -0.317 N ATOM 33 C LIG 1 -4.836 1.684 -2.099 0.00 0.00 +0.152 C ATOM 34 C LIG 1 -2.973 3.275 -1.676 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -2.513 3.986 -0.675 0.00 0.00 -0.138 NA ATOM 36 N LIG 1 -3.312 3.736 0.412 0.00 0.00 -0.129 NA ENDBRANCH 26 31 BRANCH 28 37 ATOM 37 C LIG 1 -8.197 3.614 2.845 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.014 4.335 3.243 0.00 0.00 -0.191 NA ENDBRANCH 28 37 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -3.921 -3.437 -0.743 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -4.649 -4.493 0.058 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -3.210 -4.696 -0.305 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 10