REMARK Name = BDB058490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.536 -0.750 0.685 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -0.098 0.468 0.483 0.00 0.00 -0.002 A ATOM 3 C LIG 1 -1.507 0.381 0.746 0.00 0.00 +0.029 A ATOM 4 C LIG 1 -1.911 -0.877 1.153 0.00 0.00 +0.075 A ATOM 5 S LIG 1 -0.579 -1.955 1.187 0.00 0.00 -0.083 S ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 4.678 -1.840 0.127 0.00 0.00 -0.042 A ATOM 7 C LIG 1 3.907 -1.324 -0.927 0.00 0.00 +0.005 A ATOM 8 C LIG 1 2.562 -0.978 -0.744 0.00 0.00 +0.009 A ATOM 9 C LIG 1 1.942 -1.135 0.499 0.00 0.00 -0.011 A ATOM 10 C LIG 1 2.697 -1.647 1.558 0.00 0.00 +0.009 A ATOM 11 C LIG 1 4.040 -1.994 1.373 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 6.708 -2.004 -1.463 0.00 0.00 +0.015 C ATOM 13 C LIG 1 6.156 -2.232 -0.038 0.00 0.00 -0.013 C ATOM 14 C LIG 1 7.025 -1.397 0.927 0.00 0.00 +0.015 C ATOM 15 C LIG 1 6.335 -3.731 0.286 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 0.600 1.674 0.048 0.00 0.00 -0.017 A ATOM 17 C LIG 1 1.654 2.204 0.801 0.00 0.00 +0.009 A ATOM 18 C LIG 1 2.308 3.366 0.380 0.00 0.00 +0.005 A ATOM 19 C LIG 1 1.917 4.017 -0.797 0.00 0.00 -0.034 A ATOM 20 C LIG 1 0.852 3.488 -1.540 0.00 0.00 +0.005 A ATOM 21 C LIG 1 0.197 2.327 -1.122 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 2.619 5.269 -1.257 0.00 0.00 +0.113 C BRANCH 22 23 ATOM 23 N LIG 1 1.748 6.433 -1.154 0.00 0.00 -0.326 NA ATOM 24 H LIG 1 1.443 6.528 -0.186 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 2.284 7.270 -1.370 0.00 0.00 +0.119 HD ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 -3.231 -1.378 1.521 0.00 0.00 +0.251 C ATOM 27 N LIG 1 -4.205 -0.406 1.675 0.00 0.00 -0.311 N ATOM 28 H LIG 1 -3.953 0.566 1.593 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 -3.494 -2.567 1.692 0.00 0.00 -0.270 OA BRANCH 27 30 ATOM 30 C LIG 1 -5.576 -0.725 2.024 0.00 0.00 +0.108 C BRANCH 30 31 ATOM 31 C LIG 1 -6.524 -0.774 0.817 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -6.682 0.599 0.131 0.00 0.00 +0.020 C ATOM 33 C LIG 1 -6.923 0.483 -1.378 0.00 0.00 +0.081 C ATOM 34 N LIG 1 -7.799 -0.639 -1.698 0.00 0.00 -0.316 NA ATOM 35 H LIG 1 -8.677 -0.529 -1.189 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 -7.195 -1.925 -1.328 0.00 0.00 +0.081 C ATOM 37 C LIG 1 -6.146 -1.845 -0.212 0.00 0.00 +0.020 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 4 26 TORSDOF 8