REMARK Name = BDB063432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.092 0.095 -1.054 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.563 0.444 0.129 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.953 0.306 0.261 0.00 0.00 +0.010 A ATOM 4 C LIG 1 2.737 -0.192 -0.788 0.00 0.00 -0.018 A ATOM 5 C LIG 1 2.083 -0.547 -1.974 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.695 -0.406 -2.102 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.195 -0.337 -0.647 0.00 0.00 -0.018 A ATOM 8 C LIG 1 4.995 0.743 -0.247 0.00 0.00 +0.009 A ATOM 9 C LIG 1 6.381 0.603 -0.112 0.00 0.00 +0.012 A ATOM 10 C LIG 1 7.014 -0.620 -0.373 0.00 0.00 +0.017 A ATOM 11 C LIG 1 6.218 -1.704 -0.766 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.830 -1.561 -0.902 0.00 0.00 +0.009 A BRANCH 10 13 ATOM 13 C LIG 1 8.470 -0.721 -0.219 0.00 0.00 +0.139 A ATOM 14 N LIG 1 9.231 -1.770 -0.684 0.00 0.00 -0.338 N ATOM 15 H LIG 1 8.882 -2.571 -1.186 0.00 0.00 +0.167 HD ATOM 16 C LIG 1 10.548 -1.540 -0.378 0.00 0.00 +0.067 A ATOM 17 C LIG 1 10.543 -0.316 0.282 0.00 0.00 +0.102 A ATOM 18 C LIG 1 11.763 0.219 0.740 0.00 0.00 +0.064 A ATOM 19 C LIG 1 12.943 -0.512 0.507 0.00 0.00 +0.015 A ATOM 20 C LIG 1 12.911 -1.739 -0.161 0.00 0.00 +0.003 A ATOM 21 C LIG 1 11.707 -2.281 -0.620 0.00 0.00 +0.028 A ATOM 22 N LIG 1 9.251 0.173 0.363 0.00 0.00 -0.227 NA BRANCH 18 23 ATOM 23 C LIG 1 11.840 1.516 1.452 0.00 0.00 +0.244 C ATOM 24 O LIG 1 12.910 1.972 1.840 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 10.671 2.187 1.664 0.00 0.00 -0.325 N ATOM 26 H LIG 1 9.782 1.805 1.349 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 10.692 3.069 2.153 0.00 0.00 +0.145 HD ENDBRANCH 18 23 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 28 ATOM 28 N LIG 1 -1.472 0.203 -1.246 0.00 0.00 -0.284 N ATOM 29 H LIG 1 -1.830 -0.049 -2.155 0.00 0.00 +0.155 HD BRANCH 28 32 ATOM 30 C LIG 1 -4.822 1.001 -0.368 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -3.732 0.605 -1.059 0.00 0.00 -0.199 NA ATOM 32 C LIG 1 -2.531 0.643 -0.457 0.00 0.00 +0.221 A ATOM 33 N LIG 1 -2.353 1.065 0.801 0.00 0.00 -0.223 NA ATOM 34 C LIG 1 -3.441 1.476 1.466 0.00 0.00 +0.118 A ATOM 35 C LIG 1 -4.701 1.468 0.928 0.00 0.00 +0.064 A BRANCH 30 36 ATOM 36 N LIG 1 -6.106 0.988 -0.980 0.00 0.00 -0.288 N ATOM 37 C LIG 1 -6.080 0.536 -2.377 0.00 0.00 +0.137 C BRANCH 36 45 ATOM 38 C LIG 1 -11.417 -1.402 2.433 0.00 0.00 +0.066 C ATOM 39 C LIG 1 -10.848 -0.436 1.462 0.00 0.00 +0.044 A ATOM 40 N LIG 1 -11.602 0.528 0.834 0.00 0.00 -0.270 N ATOM 41 C LIG 1 -13.019 0.762 1.002 0.00 0.00 +0.172 C ATOM 42 N LIG 1 -10.911 1.315 -0.015 0.00 0.00 -0.171 NA ATOM 43 C LIG 1 -9.649 0.863 0.042 0.00 0.00 +0.095 A ATOM 44 C LIG 1 -8.504 1.310 -0.636 0.00 0.00 +0.053 A ATOM 45 C LIG 1 -7.318 0.593 -0.329 0.00 0.00 +0.037 A ATOM 46 C LIG 1 -7.314 -0.508 0.602 0.00 0.00 +0.024 A ATOM 47 C LIG 1 -8.450 -0.977 1.297 0.00 0.00 +0.013 A ATOM 48 C LIG 1 -9.582 -0.241 0.966 0.00 0.00 +0.023 A ENDBRANCH 36 45 ENDBRANCH 30 36 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 7