REMARK Name = BDB064604 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.593 0.258 -1.775 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.437 -0.363 -2.447 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.235 -0.889 -3.295 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.464 0.693 -0.632 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.562 -0.353 -1.043 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -3.034 0.682 -1.781 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.864 0.454 -2.623 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -1.714 1.728 -3.463 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -3.117 2.317 -3.480 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.677 1.949 -2.105 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -3.072 -1.489 -1.092 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 -3.886 1.690 -4.505 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -3.530 1.978 -5.363 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.744 -0.050 -0.090 0.00 0.00 +0.162 C BRANCH 14 15 ATOM 15 N LIG 1 -5.308 -1.337 0.320 0.00 0.00 -0.304 N ATOM 16 H LIG 1 -4.666 -2.123 0.274 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 -6.658 -1.574 0.361 0.00 0.00 +0.211 C ATOM 18 O LIG 1 -7.508 -0.712 0.163 0.00 0.00 -0.276 OA ATOM 19 C LIG 1 -7.024 -3.000 0.668 0.00 0.00 +0.109 C ENDBRANCH 14 15 BRANCH 14 20 ATOM 20 C LIG 1 -4.291 0.809 1.120 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -5.507 1.334 1.894 0.00 0.00 +0.010 C BRANCH 20 23 ATOM 22 C LIG 1 -2.692 0.930 3.123 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -3.314 0.050 2.046 0.00 0.00 +0.002 C ENDBRANCH 20 23 ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.676 -0.725 -1.756 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 2.317 -1.865 -2.568 0.00 0.00 +0.231 C ATOM 26 O LIG 1 1.936 -2.174 -3.697 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 3.341 -2.541 -1.977 0.00 0.00 -0.328 N ATOM 28 H LIG 1 3.662 -2.348 -1.035 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 3.761 -3.311 -2.480 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 2.620 0.484 -1.642 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.662 0.338 -0.557 0.00 0.00 -0.045 A ATOM 32 C LIG 1 3.284 0.353 0.790 0.00 0.00 +0.004 A ATOM 33 C LIG 1 4.240 0.196 1.797 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.599 0.026 1.488 0.00 0.00 -0.018 A ATOM 35 C LIG 1 5.968 0.023 0.133 0.00 0.00 +0.009 A ATOM 36 C LIG 1 5.014 0.180 -0.878 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 6.605 -0.141 2.550 0.00 0.00 -0.018 A ATOM 38 C LIG 1 7.749 0.673 2.598 0.00 0.00 +0.008 A ATOM 39 C LIG 1 8.705 0.515 3.605 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.533 -0.461 4.583 0.00 0.00 +0.000 A ATOM 41 C LIG 1 7.406 -1.278 4.555 0.00 0.00 +0.001 A ATOM 42 C LIG 1 6.451 -1.118 3.547 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 11