REMARK Name = BDB064457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.347 0.882 -1.040 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -0.780 2.330 -1.017 0.00 0.00 +0.260 C ATOM 3 O LIG 1 0.380 2.638 -1.302 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -1.662 3.339 -0.704 0.00 0.00 -0.281 N ATOM 5 H LIG 1 -1.313 4.257 -0.954 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.994 3.189 -0.287 0.00 0.00 +0.061 A ATOM 7 C LIG 1 -3.496 2.084 0.409 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -4.865 2.014 0.697 0.00 0.00 +0.031 A ATOM 9 C LIG 1 -5.670 3.080 0.343 0.00 0.00 +0.111 A ATOM 10 N LIG 1 -5.207 4.192 -0.258 0.00 0.00 -0.261 NA ATOM 11 C LIG 1 -2.602 1.020 0.961 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -3.888 4.221 -0.559 0.00 0.00 +0.134 A ATOM 13 N LIG 1 -1.623 0.471 0.326 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -2.831 0.549 2.365 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -3.181 1.442 3.386 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -3.388 0.968 4.684 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.234 -0.390 4.967 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.864 -1.278 3.957 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.658 -0.810 2.659 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 21 ATOM 20 C LIG 1 -0.156 -0.180 -2.889 0.00 0.00 +0.246 C ATOM 21 N LIG 1 -0.382 -0.049 -1.546 0.00 0.00 -0.282 N ATOM 22 H LIG 1 0.283 -0.420 -0.872 0.00 0.00 +0.151 HD ATOM 23 O LIG 1 -0.863 0.353 -3.741 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 2.237 -1.112 -2.683 0.00 0.00 -0.021 A ATOM 25 C LIG 1 0.972 -1.064 -3.306 0.00 0.00 +0.041 A ATOM 26 C LIG 1 0.723 -1.865 -4.436 0.00 0.00 +0.013 A ATOM 27 C LIG 1 1.698 -2.728 -4.933 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.941 -2.795 -4.314 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.209 -1.993 -3.203 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 2.628 -0.236 -1.509 0.00 0.00 +0.120 C BRANCH 30 36 ATOM 31 C LIG 1 4.507 -3.192 1.386 0.00 0.00 +0.039 C ATOM 32 C LIG 1 4.052 -1.865 0.792 0.00 0.00 +0.129 C ATOM 33 O LIG 1 4.146 -0.873 1.826 0.00 0.00 -0.374 OA ATOM 34 C LIG 1 3.691 0.403 1.359 0.00 0.00 +0.175 C ATOM 35 C LIG 1 2.249 0.329 0.831 0.00 0.00 +0.113 C ATOM 36 N LIG 1 2.046 -0.688 -0.231 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 2.604 -1.969 0.260 0.00 0.00 +0.116 C ENDBRANCH 30 36 ENDBRANCH 24 30 ENDBRANCH 20 25 ENDBRANCH 1 21 TORSDOF 5