REMARK Name = BDB064646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.837 -1.801 -1.411 0.00 0.00 -0.302 N ATOM 2 H LIG 1 0.996 -2.447 -2.182 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 1.816 -1.539 -0.482 0.00 0.00 +0.234 C ATOM 4 O LIG 1 1.683 -0.672 0.377 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 3.089 -2.401 -0.637 0.00 0.00 +0.164 C ATOM 6 N LIG 1 4.107 -2.073 0.364 0.00 0.00 -0.287 N ATOM 7 C LIG 1 5.008 -1.032 0.357 0.00 0.00 +0.221 C ATOM 8 O LIG 1 5.890 -0.955 1.215 0.00 0.00 -0.275 OA ATOM 9 C LIG 1 4.115 -3.044 1.447 0.00 0.00 +0.140 C ATOM 10 C LIG 1 2.951 -3.989 1.147 0.00 0.00 +0.134 C ATOM 11 C LIG 1 2.790 -3.875 -0.369 0.00 0.00 +0.065 C BRANCH 10 12 ATOM 12 O LIG 1 3.198 -5.333 1.522 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 4.071 -5.597 1.181 0.00 0.00 +0.210 HD ENDBRANCH 10 12 BRANCH 7 14 ATOM 14 C LIG 1 4.913 -0.009 -0.768 0.00 0.00 +0.132 C BRANCH 14 15 ATOM 15 C LIG 1 5.091 1.407 -0.291 0.00 0.00 -0.021 A ATOM 16 C LIG 1 6.337 2.025 -0.315 0.00 0.00 +0.114 A ATOM 17 N LIG 1 6.562 3.297 0.087 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 5.498 3.977 0.566 0.00 0.00 +0.111 A ATOM 19 C LIG 1 4.222 3.447 0.654 0.00 0.00 +0.020 A ATOM 20 C LIG 1 4.017 2.142 0.219 0.00 0.00 +0.007 A ENDBRANCH 14 15 ENDBRANCH 7 14 ENDBRANCH 3 5 BRANCH 1 21 ATOM 21 C LIG 1 -0.417 -1.044 -1.454 0.00 0.00 +0.163 C BRANCH 21 25 ATOM 22 N LIG 1 -1.951 -0.354 -3.268 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -2.396 0.300 -2.634 0.00 0.00 +0.145 HD ATOM 24 H LIG 1 -2.354 -0.474 -4.188 0.00 0.00 +0.145 HD ATOM 25 C LIG 1 -0.969 -1.214 -2.880 0.00 0.00 +0.231 C ATOM 26 O LIG 1 -0.551 -2.077 -3.652 0.00 0.00 -0.274 OA ENDBRANCH 21 25 BRANCH 21 27 ATOM 27 C LIG 1 -1.408 -1.561 -0.397 0.00 0.00 +0.067 C BRANCH 27 28 ATOM 28 C LIG 1 -2.548 -0.610 -0.118 0.00 0.00 -0.045 A ATOM 29 C LIG 1 -3.855 -0.927 -0.503 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -4.901 -0.031 -0.260 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -4.672 1.198 0.378 0.00 0.00 -0.018 A ATOM 32 C LIG 1 -3.359 1.500 0.770 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -2.309 0.608 0.529 0.00 0.00 +0.004 A BRANCH 31 34 ATOM 34 C LIG 1 -5.776 2.138 0.635 0.00 0.00 -0.018 A ATOM 35 C LIG 1 -6.011 2.643 1.925 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -7.059 3.535 2.171 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -7.889 3.939 1.129 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.675 3.451 -0.157 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.628 2.558 -0.401 0.00 0.00 +0.008 A ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 1 21 TORSDOF 9