REMARK Name = BDB055970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.324 1.465 -0.148 0.00 0.00 +0.094 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.075 2.405 0.967 0.00 0.00 -0.324 NA ATOM 3 H LIG 1 0.627 1.998 1.584 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 -0.930 2.566 1.491 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 -0.939 0.139 0.377 0.00 0.00 +0.133 C BRANCH 5 6 ATOM 6 O LIG 1 -2.089 0.411 1.196 0.00 0.00 -0.390 OA ATOM 7 H LIG 1 -1.747 0.797 2.022 0.00 0.00 +0.210 HD ENDBRANCH 5 6 BRANCH 5 8 ATOM 8 C LIG 1 -1.374 -0.876 -0.697 0.00 0.00 +0.045 C BRANCH 8 9 ATOM 9 C LIG 1 -2.199 -0.334 -1.883 0.00 0.00 +0.077 C BRANCH 9 10 ATOM 10 C LIG 1 -3.505 0.404 -1.573 0.00 0.00 +0.216 C ATOM 11 N LIG 1 -4.191 -0.010 -0.457 0.00 0.00 -0.315 N ATOM 12 H LIG 1 -3.577 -0.230 0.326 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 -3.940 1.254 -2.350 0.00 0.00 -0.276 OA BRANCH 11 14 ATOM 14 C LIG 1 -5.435 0.642 -0.093 0.00 0.00 +0.110 C BRANCH 14 15 ATOM 15 C LIG 1 -6.257 -0.133 0.963 0.00 0.00 -0.022 C ATOM 16 C LIG 1 -5.485 -0.254 2.288 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -7.561 0.643 1.224 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -6.612 -1.538 0.449 0.00 0.00 +0.012 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 9 10 BRANCH 9 20 ATOM 19 C LIG 1 -3.291 -2.621 -2.442 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -2.478 -1.431 -2.934 0.00 0.00 +0.009 C ENDBRANCH 9 20 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 0.985 1.266 -0.972 0.00 0.00 +0.106 C BRANCH 21 22 ATOM 22 N LIG 1 2.150 0.842 -0.151 0.00 0.00 -0.286 NA ATOM 23 C LIG 1 3.371 1.676 -0.314 0.00 0.00 +0.033 C ATOM 24 C LIG 1 3.110 3.156 0.059 0.00 0.00 +0.029 C ATOM 25 C LIG 1 3.974 1.635 -1.736 0.00 0.00 +0.029 C ATOM 26 C LIG 1 4.411 1.160 0.721 0.00 0.00 +0.135 C ATOM 27 N LIG 1 4.716 -0.262 0.621 0.00 0.00 -0.267 N ATOM 28 C LIG 1 3.688 -1.153 0.306 0.00 0.00 +0.234 C ATOM 29 O LIG 1 3.756 -2.374 0.480 0.00 0.00 -0.274 OA ATOM 30 C LIG 1 2.444 -0.590 -0.390 0.00 0.00 +0.181 C BRANCH 27 31 ATOM 31 C LIG 1 6.021 -0.747 1.006 0.00 0.00 +0.055 A ATOM 32 C LIG 1 6.841 -0.188 2.010 0.00 0.00 +0.062 A ATOM 33 CL LIG 1 6.338 1.054 3.110 0.00 0.00 -0.082 Cl ATOM 34 C LIG 1 8.130 -0.697 2.250 0.00 0.00 +0.022 A ATOM 35 C LIG 1 8.624 -1.767 1.510 0.00 0.00 +0.002 A ATOM 36 C LIG 1 7.830 -2.342 0.529 0.00 0.00 +0.002 A ATOM 37 C LIG 1 6.548 -1.838 0.283 0.00 0.00 +0.025 A ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12