REMARK Name = BDB004997 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.649 -0.224 2.978 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.619 -1.133 2.532 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.767 -1.405 3.294 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -2.940 -0.744 4.516 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.977 0.155 4.970 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.836 0.412 4.205 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.506 0.878 2.336 0.00 0.00 +0.248 C ATOM 8 N LIG 1 0.471 -0.019 2.145 0.00 0.00 -0.281 N ATOM 9 H LIG 1 0.471 -0.540 1.279 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 1.608 1.708 3.231 0.00 0.00 -0.270 OA BRANCH 7 16 ATOM 11 C LIG 1 4.804 3.328 -0.504 0.00 0.00 +0.045 C ATOM 12 C LIG 1 4.183 2.021 -0.087 0.00 0.00 -0.029 A ATOM 13 C LIG 1 4.606 0.803 -0.661 0.00 0.00 +0.033 A ATOM 14 C LIG 1 4.006 -0.391 -0.225 0.00 0.00 +0.024 A ATOM 15 C LIG 1 2.999 -0.385 0.745 0.00 0.00 +0.015 A ATOM 16 C LIG 1 2.572 0.826 1.296 0.00 0.00 +0.037 A ATOM 17 C LIG 1 3.175 2.021 0.892 0.00 0.00 +0.018 A BRANCH 13 18 ATOM 18 N LIG 1 5.637 0.820 -1.619 0.00 0.00 -0.325 N ATOM 19 C LIG 1 6.943 0.433 -1.036 0.00 0.00 +0.133 C ATOM 20 C LIG 1 8.046 0.621 -2.091 0.00 0.00 +0.178 C ATOM 21 O LIG 1 7.768 -0.132 -3.285 0.00 0.00 -0.377 OA ATOM 22 C LIG 1 6.513 0.285 -3.852 0.00 0.00 +0.178 C ATOM 23 C LIG 1 5.357 0.067 -2.861 0.00 0.00 +0.133 C ENDBRANCH 13 18 ENDBRANCH 7 16 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 -3.821 -2.359 2.780 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 N LIG 1 -4.826 -1.640 2.003 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -4.926 -0.688 2.345 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -4.674 -1.609 0.602 0.00 0.00 +0.130 A ATOM 28 C LIG 1 -5.609 -0.894 -0.178 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -5.406 -0.897 -1.573 0.00 0.00 +0.088 A ATOM 30 C LIG 1 -6.319 -0.172 -2.369 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -7.404 0.519 -1.795 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -7.606 0.501 -0.425 0.00 0.00 +0.002 A ATOM 33 N LIG 1 -4.372 -1.583 -2.109 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 -3.569 -2.257 -1.280 0.00 0.00 +0.223 A ATOM 35 C LIG 1 -6.717 -0.202 0.375 0.00 0.00 +0.013 A ATOM 36 N LIG 1 -3.668 -2.303 0.047 0.00 0.00 -0.220 NA BRANCH 30 37 ATOM 37 C LIG 1 -6.217 -0.082 -3.860 0.00 0.00 +0.244 C ATOM 38 O LIG 1 -7.048 0.527 -4.525 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 -5.170 -0.696 -4.480 0.00 0.00 -0.325 N ATOM 40 H LIG 1 -5.117 -0.673 -5.488 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -4.502 -1.246 -3.949 0.00 0.00 +0.145 HD ENDBRANCH 30 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7