REMARK Name = BDB064644 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.464 -1.622 -1.522 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.391 -1.084 -2.457 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.021 -0.774 -3.354 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.137 -1.788 -0.347 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.354 -0.976 -0.534 0.00 0.00 +0.224 C ATOM 6 N LIG 1 2.834 -2.145 -1.058 0.00 0.00 -0.287 N ATOM 7 C LIG 1 1.809 -2.102 -2.099 0.00 0.00 +0.164 C ATOM 8 C LIG 1 1.656 -3.554 -2.578 0.00 0.00 +0.065 C ATOM 9 C LIG 1 2.861 -4.280 -1.983 0.00 0.00 +0.134 C ATOM 10 C LIG 1 3.158 -3.516 -0.696 0.00 0.00 +0.140 C ATOM 11 O LIG 1 3.046 0.111 -1.023 0.00 0.00 -0.275 OA BRANCH 9 12 ATOM 12 O LIG 1 3.966 -4.183 -2.884 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 4.223 -3.245 -2.944 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 4.319 -1.135 0.626 0.00 0.00 +0.176 C BRANCH 14 17 ATOM 15 N LIG 1 5.602 1.867 1.905 0.00 0.00 -0.158 N ATOM 16 N LIG 1 5.800 0.806 1.089 0.00 0.00 -0.135 NA ATOM 17 C LIG 1 4.640 0.154 1.269 0.00 0.00 +0.183 A ATOM 18 N LIG 1 3.817 0.751 2.184 0.00 0.00 -0.112 NA ATOM 19 N LIG 1 4.433 1.857 2.576 0.00 0.00 -0.046 NA BRANCH 15 21 ATOM 20 C LIG 1 6.079 4.073 0.968 0.00 0.00 +0.037 C ATOM 21 C LIG 1 6.531 3.000 1.972 0.00 0.00 +0.076 C ATOM 22 C LIG 1 7.969 2.561 1.626 0.00 0.00 +0.037 C ATOM 23 C LIG 1 6.553 3.605 3.390 0.00 0.00 +0.037 C ENDBRANCH 15 21 ENDBRANCH 14 17 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 -1.661 -0.476 -2.055 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 -2.051 0.509 -3.173 0.00 0.00 +0.231 C ATOM 26 O LIG 1 -1.490 0.527 -4.269 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 -3.059 1.383 -2.899 0.00 0.00 -0.328 N ATOM 28 H LIG 1 -3.307 2.063 -3.606 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 -3.506 1.443 -1.992 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 -2.745 -1.546 -1.843 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 -3.918 -1.069 -1.018 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -3.752 -0.773 0.340 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.830 -0.314 1.103 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -6.102 -0.144 0.533 0.00 0.00 -0.018 A ATOM 35 C LIG 1 -6.259 -0.454 -0.827 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -5.183 -0.914 -1.594 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 -7.237 0.338 1.338 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -8.009 1.435 0.920 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -9.086 1.893 1.684 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -9.411 1.260 2.881 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -8.660 0.170 3.314 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -7.583 -0.286 2.549 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10