REMARK Name = BDB064470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.362 -2.058 -2.581 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.860 -0.951 -2.454 0.00 0.00 +0.246 C ATOM 3 N LIG 1 -0.437 -0.720 -2.065 0.00 0.00 -0.282 N ATOM 4 H LIG 1 -0.807 0.211 -2.174 0.00 0.00 +0.151 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -1.421 -1.767 -2.188 0.00 0.00 +0.279 C ATOM 6 C LIG 1 -1.257 -3.025 -1.296 0.00 0.00 +0.260 C ATOM 7 O LIG 1 -1.216 -4.168 -1.763 0.00 0.00 -0.271 OA ATOM 8 N LIG 1 -1.175 -2.879 0.062 0.00 0.00 -0.282 N ATOM 9 H LIG 1 -0.844 -3.716 0.523 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -1.412 -1.728 0.819 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -2.221 -0.659 0.408 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -2.312 0.486 1.222 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -1.672 0.534 2.461 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -0.940 -0.562 2.903 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -3.088 -0.721 -0.812 0.00 0.00 +0.077 C ATOM 16 C LIG 1 -0.813 -1.687 2.087 0.00 0.00 +0.024 A ATOM 17 N LIG 1 -2.735 -1.175 -1.967 0.00 0.00 -0.251 NA BRANCH 15 18 ATOM 18 C LIG 1 -4.495 -0.213 -0.705 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -5.042 0.510 -1.772 0.00 0.00 +0.010 A ATOM 20 C LIG 1 -6.351 0.988 -1.695 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.120 0.736 -0.558 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.585 -0.002 0.498 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.277 -0.482 0.425 0.00 0.00 +0.010 A ENDBRANCH 15 18 ENDBRANCH 3 5 BRANCH 2 24 ATOM 24 C LIG 1 1.657 0.269 -2.722 0.00 0.00 +0.041 A ATOM 25 C LIG 1 2.836 0.547 -2.009 0.00 0.00 -0.021 A ATOM 26 C LIG 1 3.549 1.716 -2.336 0.00 0.00 +0.005 A ATOM 27 C LIG 1 3.099 2.578 -3.338 0.00 0.00 +0.000 A ATOM 28 C LIG 1 1.930 2.287 -4.037 0.00 0.00 +0.001 A ATOM 29 C LIG 1 1.210 1.134 -3.733 0.00 0.00 +0.013 A BRANCH 25 30 ATOM 30 C LIG 1 3.358 -0.345 -0.900 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 3.465 0.359 0.396 0.00 0.00 -0.291 NA ATOM 32 C LIG 1 4.207 -0.494 1.348 0.00 0.00 +0.139 C ATOM 33 C LIG 1 4.168 0.052 2.732 0.00 0.00 +0.053 A ATOM 34 N LIG 1 3.222 0.963 3.104 0.00 0.00 -0.266 N ATOM 35 N LIG 1 3.275 1.311 4.402 0.00 0.00 -0.179 NA ATOM 36 C LIG 1 4.322 0.618 4.859 0.00 0.00 +0.134 A ATOM 37 C LIG 1 2.252 1.546 2.204 0.00 0.00 +0.159 C ATOM 38 C LIG 1 4.915 -0.186 3.864 0.00 0.00 +0.045 A ATOM 39 C LIG 1 2.130 0.694 0.939 0.00 0.00 +0.108 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 2 24 TORSDOF 5