REMARK Name = BDB061210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.409 0.004 -0.239 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.741 1.226 -0.067 0.00 0.00 +0.062 A ATOM 3 C LIG 1 -0.656 1.262 -0.079 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -1.317 2.547 0.145 0.00 0.00 +0.144 A ATOM 5 N LIG 1 -0.691 3.670 0.312 0.00 0.00 -0.179 NA ATOM 6 N LIG 1 0.665 3.634 0.285 0.00 0.00 -0.243 N ATOM 7 H LIG 1 1.143 4.519 0.422 0.00 0.00 +0.192 HD ATOM 8 C LIG 1 -1.391 0.091 -0.276 0.00 0.00 +0.128 A ATOM 9 N LIG 1 -0.759 -1.091 -0.417 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 1.450 2.514 0.129 0.00 0.00 +0.273 A ATOM 11 O LIG 1 2.671 2.601 0.153 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 0.595 -1.113 -0.400 0.00 0.00 +0.122 A ENDROOT BRANCH 1 17 ATOM 13 C LIG 1 5.593 -0.557 -0.257 0.00 0.00 +0.126 A ATOM 14 N LIG 1 4.965 -0.412 -1.448 0.00 0.00 -0.247 NA ATOM 15 C LIG 1 3.623 -0.208 -1.434 0.00 0.00 +0.047 A ATOM 16 C LIG 1 2.987 -0.020 -2.783 0.00 0.00 +0.066 C ATOM 17 C LIG 1 2.866 -0.175 -0.249 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.555 -0.349 0.962 0.00 0.00 +0.012 A ATOM 19 C LIG 1 4.935 -0.534 0.965 0.00 0.00 +0.033 A BRANCH 13 23 ATOM 20 C LIG 1 9.238 0.063 0.518 0.00 0.00 +0.128 C ATOM 21 N LIG 1 7.799 0.042 0.583 0.00 0.00 -0.313 N ATOM 22 H LIG 1 7.332 0.849 0.978 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 7.076 -0.745 -0.304 0.00 0.00 +0.262 C ATOM 24 O LIG 1 7.595 -1.536 -1.083 0.00 0.00 -0.269 OA ENDBRANCH 13 23 ENDBRANCH 1 17 BRANCH 8 25 ATOM 25 N LIG 1 -2.794 0.112 -0.295 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -3.120 0.763 -1.006 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.428 -1.192 -0.488 0.00 0.00 +0.141 C BRANCH 27 28 ATOM 28 C LIG 1 -4.921 -1.022 -0.421 0.00 0.00 +0.012 A ATOM 29 C LIG 1 -5.581 -0.709 0.764 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -5.037 -0.431 2.115 0.00 0.00 +0.080 C ATOM 31 C LIG 1 -6.337 -0.474 2.918 0.00 0.00 +0.234 C ATOM 32 O LIG 1 -7.449 -0.210 2.031 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 -6.959 -0.533 0.793 0.00 0.00 +0.124 A ATOM 34 C LIG 1 -7.741 -0.653 -0.338 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -7.103 -0.973 -1.536 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -5.713 -1.153 -1.569 0.00 0.00 +0.129 A ATOM 37 F LIG 1 -5.136 -1.443 -2.744 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 8 25 TORSDOF 5