REMARK Name = BDB019633 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.146 -0.937 0.710 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.170 0.067 -0.268 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.018 0.655 -0.734 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.239 0.200 -0.210 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.288 -0.811 0.761 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.087 -1.380 1.208 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.982 1.724 -1.745 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -0.243 2.900 -1.522 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -0.210 3.938 -2.469 0.00 0.00 -0.022 A ATOM 10 C LIG 1 -0.915 3.784 -3.667 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -1.650 2.623 -3.908 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.685 1.604 -2.953 0.00 0.00 +0.008 A BRANCH 9 13 ATOM 13 C LIG 1 0.594 5.184 -2.200 0.00 0.00 +0.191 C BRANCH 13 14 ATOM 14 O LIG 1 0.247 5.741 -0.939 0.00 0.00 -0.390 OA ATOM 15 H LIG 1 -0.705 5.589 -0.814 0.00 0.00 +0.210 HD ENDBRANCH 13 14 ENDBRANCH 9 13 ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 2.578 -0.927 1.002 0.00 0.00 -0.307 N ATOM 17 H LIG 1 2.572 0.037 0.705 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 1.388 -1.580 1.234 0.00 0.00 +0.244 C ATOM 19 O LIG 1 1.321 -2.631 1.862 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 3.815 -1.427 1.558 0.00 0.00 +0.139 C BRANCH 20 27 ATOM 21 C LIG 1 7.272 2.231 1.254 0.00 0.00 +0.045 C ATOM 22 C LIG 1 6.666 0.976 0.690 0.00 0.00 -0.032 A ATOM 23 C LIG 1 7.127 0.405 -0.506 0.00 0.00 +0.044 A ATOM 24 CL LIG 1 8.428 1.103 -1.403 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 6.533 -0.753 -1.014 0.00 0.00 +0.020 A ATOM 26 C LIG 1 5.470 -1.352 -0.340 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.992 -0.802 0.856 0.00 0.00 -0.030 A ATOM 28 C LIG 1 5.592 0.364 1.359 0.00 0.00 +0.010 A ENDBRANCH 20 27 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 29 ATOM 29 C LIG 1 -3.615 -1.308 1.281 0.00 0.00 +0.138 C BRANCH 29 30 ATOM 30 N LIG 1 -4.130 -2.325 0.396 0.00 0.00 -0.329 N ATOM 31 H LIG 1 -3.885 -2.216 -0.584 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.342 -2.926 0.555 0.00 0.00 +0.090 C ATOM 33 C LIG 1 -6.013 -3.058 1.895 0.00 0.00 +0.073 C ATOM 34 C LIG 1 -6.976 -4.175 1.574 0.00 0.00 +0.031 C ATOM 35 C LIG 1 -7.252 -3.949 0.099 0.00 0.00 +0.143 C ATOM 36 N LIG 1 -5.998 -3.405 -0.460 0.00 0.00 -0.273 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9