REMARK Name = BDB025041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.455 -1.108 -1.308 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.313 -1.598 -0.650 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.356 -2.953 -0.063 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.899 -2.914 1.371 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.011 -3.664 -0.171 0.00 0.00 +0.027 C ATOM 6 C LIG 1 1.932 -2.872 0.532 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.953 -1.430 0.114 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.794 -0.643 0.316 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.406 -1.017 0.856 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -1.188 0.047 0.825 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -0.511 1.122 0.270 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.767 0.693 -0.046 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.882 1.322 -0.596 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.035 0.544 -0.782 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.106 -0.820 -0.451 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.550 -0.059 -1.935 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.002 2.478 0.018 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -1.353 3.248 1.302 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.711 4.720 1.016 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.496 4.910 -0.290 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.150 3.623 -0.778 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.115 2.532 -1.047 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -0.461 5.584 0.982 0.00 0.00 +0.308 C ATOM 24 O LIG 1 0.656 5.171 0.714 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -0.706 6.885 1.250 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.640 7.095 1.439 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.712 -1.514 -1.850 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.522 -1.960 -1.198 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.603 0.067 1.332 0.00 0.00 +0.181 C ATOM 30 C LIG 1 -2.604 0.072 2.860 0.00 0.00 +0.046 C BRANCH 29 31 ATOM 31 O LIG 1 -3.270 -1.143 0.938 0.00 0.00 -0.366 OA BRANCH 31 32 ATOM 32 C LIG 1 -3.881 -1.137 -0.355 0.00 0.00 +0.124 C ATOM 33 C LIG 1 -2.905 -1.530 -1.467 0.00 0.00 +0.059 C ATOM 34 C LIG 1 -2.467 -2.981 -1.312 0.00 0.00 +0.162 C ATOM 35 O LIG 1 -3.611 -3.840 -1.336 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 -4.481 -3.579 -0.235 0.00 0.00 +0.162 C ATOM 37 C LIG 1 -5.024 -2.156 -0.307 0.00 0.00 +0.059 C ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 10 29 TORSDOF 7