REMARK Name = BDB032741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.923 -0.380 -0.106 0.00 0.00 -0.282 N ATOM 2 C LIG 1 4.844 -0.130 0.729 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.764 0.664 1.646 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 3.769 -1.039 0.317 0.00 0.00 +0.042 A ATOM 5 C LIG 1 4.261 -1.862 -0.693 0.00 0.00 -0.018 A ATOM 6 C LIG 1 3.447 -2.820 -1.269 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.129 -2.931 -0.808 0.00 0.00 +0.007 A ATOM 8 C LIG 1 1.636 -2.101 0.228 0.00 0.00 -0.010 A ATOM 9 C LIG 1 2.475 -1.131 0.796 0.00 0.00 +0.020 A ATOM 10 C LIG 1 5.690 -1.534 -0.963 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 10.427 1.833 2.171 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 9.440 1.377 1.601 0.00 0.00 +0.219 C ATOM 13 N LIG 1 8.956 0.132 1.915 0.00 0.00 -0.255 N ATOM 14 H LIG 1 9.439 -0.359 2.654 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 7.968 -0.578 1.270 0.00 0.00 +0.240 C ATOM 16 O LIG 1 7.761 -1.756 1.560 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 7.268 0.145 0.109 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.312 1.659 0.315 0.00 0.00 +0.041 C ATOM 19 C LIG 1 8.758 2.104 0.466 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 8 20 ATOM 20 C LIG 1 0.209 -2.233 0.697 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -0.549 -1.193 0.074 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.872 -1.226 0.376 0.00 0.00 +0.405 C ATOM 23 N LIG 1 -2.479 -0.184 -0.263 0.00 0.00 -0.250 N ATOM 24 H LIG 1 -1.848 0.387 -0.808 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 -2.389 -2.063 1.099 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.840 0.164 -0.233 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -4.824 -0.513 0.471 0.00 0.00 +0.136 A ATOM 28 N LIG 1 -6.136 -0.157 0.481 0.00 0.00 -0.238 NA ATOM 29 C LIG 1 -6.530 0.916 -0.237 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -5.593 1.653 -0.958 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -4.247 1.276 -0.961 0.00 0.00 +0.028 A BRANCH 29 32 ATOM 32 N LIG 1 -7.858 1.276 -0.202 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -8.518 1.996 -1.283 0.00 0.00 +0.106 C ATOM 34 C LIG 1 -9.972 1.523 -1.221 0.00 0.00 +0.020 C ATOM 35 C LIG 1 -10.144 1.077 0.222 0.00 0.00 +0.020 C ATOM 36 C LIG 1 -8.796 0.434 0.532 0.00 0.00 +0.106 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 8 20 TORSDOF 6