REMARK Name = BDB025044 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.441 -0.657 0.187 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.200 -1.225 0.525 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.118 -2.656 0.909 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.763 -2.905 2.284 0.00 0.00 +0.028 C ATOM 5 C LIG 1 2.695 -3.235 0.964 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.845 -2.680 -0.156 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.794 -1.191 0.016 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.603 -0.461 -0.182 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.646 -0.925 -0.500 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.439 0.129 -0.569 0.00 0.00 +0.144 A ATOM 11 N LIG 1 -0.710 1.288 -0.331 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.593 0.921 -0.056 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.745 1.636 0.281 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.926 0.905 0.473 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.977 -0.489 0.341 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.636 0.492 -0.195 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.239 2.651 -0.335 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.258 3.276 1.065 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.025 4.608 1.070 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -1.894 5.398 -0.244 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -0.623 5.043 -1.010 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.576 3.562 -1.387 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -1.540 5.459 2.230 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -0.407 5.914 2.314 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.477 5.676 3.183 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.342 5.252 3.024 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.751 -1.036 -0.064 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.468 -1.557 0.285 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.921 0.118 -0.860 0.00 0.00 +0.210 C BRANCH 29 30 ATOM 30 C LIG 1 -3.540 -1.236 -1.176 0.00 0.00 -0.011 A ATOM 31 C LIG 1 -3.339 -2.354 -0.340 0.00 0.00 +0.016 A ATOM 32 C LIG 1 -3.964 -3.582 -0.634 0.00 0.00 -0.000 A ATOM 33 C LIG 1 -4.786 -3.664 -1.757 0.00 0.00 +0.046 A ATOM 34 N LIG 1 -5.261 -4.954 -1.817 0.00 0.00 -0.361 N ATOM 35 H LIG 1 -5.880 -5.304 -2.535 0.00 0.00 +0.165 HD ATOM 36 C LIG 1 -4.771 -5.688 -0.768 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.015 -2.576 -2.605 0.00 0.00 +0.026 A ATOM 38 C LIG 1 -3.962 -4.864 -0.020 0.00 0.00 +0.027 A ATOM 39 C LIG 1 -4.383 -1.367 -2.292 0.00 0.00 +0.008 A ENDBRANCH 29 30 BRANCH 29 40 ATOM 40 O LIG 1 -3.575 0.681 0.285 0.00 0.00 -0.379 OA ATOM 41 H LIG 1 -3.929 -0.070 0.793 0.00 0.00 +0.211 HD ENDBRANCH 29 40 ENDBRANCH 10 29 TORSDOF 7