REMARK Name = BDB029338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.143 -0.380 0.995 0.00 0.00 -0.280 N ATOM 2 H LIG 1 1.053 -0.040 0.036 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.061 -0.672 1.600 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -0.238 -1.200 2.697 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 4.851 -0.597 0.974 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.498 -0.470 0.590 0.00 0.00 +0.027 A ATOM 7 C LIG 1 2.437 -0.527 1.510 0.00 0.00 +0.034 A ATOM 8 C LIG 1 2.714 -0.696 2.860 0.00 0.00 +0.023 A ATOM 9 C LIG 1 4.042 -0.777 3.282 0.00 0.00 +0.002 A ATOM 10 C LIG 1 5.090 -0.724 2.353 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 6.042 -0.605 -0.123 0.00 0.00 +0.005 C ATOM 12 C LIG 1 5.821 -1.536 -1.372 0.00 0.00 +0.030 C ATOM 13 C LIG 1 7.246 -2.101 -1.220 0.00 0.00 +0.093 C ATOM 14 C LIG 1 7.265 -1.534 0.218 0.00 0.00 +0.030 C BRANCH 13 15 ATOM 15 C LIG 1 8.254 -1.556 -2.110 0.00 0.00 +0.066 C ATOM 16 N LIG 1 9.082 -1.079 -2.781 0.00 0.00 -0.196 NA ENDBRANCH 13 15 BRANCH 11 17 ATOM 17 C LIG 1 6.481 0.843 -0.440 0.00 0.00 +0.088 C BRANCH 17 20 ATOM 18 C LIG 1 5.147 3.401 0.795 0.00 0.00 +0.151 C ATOM 19 N LIG 1 4.830 2.791 -0.470 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.397 1.675 -1.038 0.00 0.00 +0.134 A ATOM 21 N LIG 1 4.820 1.466 -2.210 0.00 0.00 -0.135 NA ATOM 22 N LIG 1 3.850 2.420 -2.392 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 3.865 3.211 -1.337 0.00 0.00 +0.224 A ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 24 ATOM 24 C LIG 1 -1.229 -0.349 0.713 0.00 0.00 +0.126 A ATOM 25 N LIG 1 -0.974 0.560 -0.268 0.00 0.00 -0.247 NA ATOM 26 C LIG 1 -1.971 0.893 -1.120 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -3.203 0.234 -1.044 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -3.435 -0.758 -0.071 0.00 0.00 -0.029 A ATOM 29 C LIG 1 -2.436 -1.016 0.865 0.00 0.00 +0.038 A BRANCH 26 30 ATOM 30 C LIG 1 -1.648 1.982 -2.111 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -2.707 2.789 -2.818 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -1.863 1.820 -3.599 0.00 0.00 +0.010 C ENDBRANCH 26 30 BRANCH 28 33 ATOM 33 C LIG 1 -4.703 -1.589 -0.094 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -5.914 -0.834 0.255 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -7.130 -1.600 -0.102 0.00 0.00 +0.091 C ATOM 36 C LIG 1 -8.182 -1.001 0.808 0.00 0.00 -0.015 C ATOM 37 C LIG 1 -9.408 -1.809 1.178 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -9.543 -0.626 0.268 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -7.496 -0.147 1.841 0.00 0.00 +0.023 C ATOM 40 C LIG 1 -6.025 -0.558 1.694 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 3 24 TORSDOF 9