REMARK Name = BDB058136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.758 -4.474 -2.578 0.00 0.00 +0.221 A ATOM 2 N LIG 1 1.905 -3.790 -2.439 0.00 0.00 -0.197 NA ATOM 3 C LIG 1 3.071 -4.329 -2.857 0.00 0.00 +0.159 A ATOM 4 C LIG 1 3.070 -5.589 -3.425 0.00 0.00 +0.184 A ATOM 5 C LIG 1 1.868 -6.247 -3.522 0.00 0.00 +0.150 A ATOM 6 N LIG 1 0.706 -5.708 -3.103 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 4.263 -6.220 -3.926 0.00 0.00 +0.061 N ATOM 8 O LIG 1 5.147 -5.488 -4.397 0.00 0.00 -0.126 OA ATOM 9 O LIG 1 4.318 -7.456 -3.883 0.00 0.00 -0.126 OA ENDBRANCH 4 7 BRANCH 1 10 ATOM 10 N LIG 1 -0.462 -3.960 -2.155 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -1.187 -4.643 -2.318 0.00 0.00 +0.155 HD BRANCH 10 15 ATOM 12 C LIG 1 -1.834 -0.188 -0.802 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -0.540 -0.314 -1.316 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -0.070 -1.553 -1.771 0.00 0.00 +0.024 A ATOM 15 C LIG 1 -0.882 -2.689 -1.746 0.00 0.00 +0.034 A ATOM 16 C LIG 1 -2.179 -2.550 -1.224 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -2.657 -1.317 -0.762 0.00 0.00 +0.015 A BRANCH 12 20 ATOM 18 N LIG 1 -3.269 1.194 0.618 0.00 0.00 -0.308 N ATOM 19 H LIG 1 -3.759 0.348 0.872 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -2.280 1.159 -0.341 0.00 0.00 +0.244 C ATOM 21 O LIG 1 -1.759 2.167 -0.805 0.00 0.00 -0.270 OA BRANCH 18 29 ATOM 22 C LIG 1 -5.321 0.187 3.410 0.00 0.00 +0.030 C ATOM 23 C LIG 1 -5.697 1.465 2.622 0.00 0.00 +0.043 C ATOM 24 N LIG 1 -6.203 1.036 1.309 0.00 0.00 -0.180 NA ATOM 25 C LIG 1 -6.245 1.943 0.150 0.00 0.00 +0.043 C ATOM 26 C LIG 1 -6.218 1.061 -1.121 0.00 0.00 +0.030 C ATOM 27 C LIG 1 -7.528 2.798 0.077 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -5.015 2.889 0.125 0.00 0.00 +0.046 C ATOM 29 C LIG 1 -3.882 2.440 1.052 0.00 0.00 +0.077 C ATOM 30 C LIG 1 -4.419 2.341 2.483 0.00 0.00 +0.046 C ATOM 31 C LIG 1 -6.739 2.230 3.462 0.00 0.00 +0.030 C BRANCH 24 32 ATOM 32 O LIG 1 -7.383 0.206 1.407 0.00 0.00 -0.311 OA ATOM 33 H LIG 1 -8.093 0.817 1.678 0.00 0.00 +0.237 HD ENDBRANCH 24 32 ENDBRANCH 18 29 ENDBRANCH 12 20 ENDBRANCH 10 15 ENDBRANCH 1 10 BRANCH 3 34 ATOM 34 N LIG 1 4.277 -3.620 -2.645 0.00 0.00 -0.297 N ATOM 35 H LIG 1 4.899 -3.702 -3.451 0.00 0.00 +0.154 HD BRANCH 34 36 ATOM 36 C LIG 1 4.528 -2.460 -1.884 0.00 0.00 +0.032 A ATOM 37 C LIG 1 5.667 -1.692 -2.178 0.00 0.00 +0.024 A ATOM 38 C LIG 1 5.995 -0.558 -1.425 0.00 0.00 +0.015 A ATOM 39 C LIG 1 5.196 -0.187 -0.339 0.00 0.00 +0.037 A ATOM 40 C LIG 1 4.062 -0.942 -0.033 0.00 0.00 +0.015 A ATOM 41 C LIG 1 3.744 -2.076 -0.790 0.00 0.00 +0.024 A BRANCH 39 42 ATOM 42 C LIG 1 5.508 1.006 0.499 0.00 0.00 +0.248 C ATOM 43 N LIG 1 6.857 1.236 0.704 0.00 0.00 -0.281 N ATOM 44 H LIG 1 7.497 0.525 0.374 0.00 0.00 +0.155 HD ATOM 45 O LIG 1 4.577 1.652 0.962 0.00 0.00 -0.270 OA BRANCH 43 46 ATOM 46 C LIG 1 7.444 2.304 1.417 0.00 0.00 +0.035 A ATOM 47 C LIG 1 6.725 3.374 1.953 0.00 0.00 +0.043 A ATOM 48 C LIG 1 7.393 4.391 2.638 0.00 0.00 +0.043 A ATOM 49 CL LIG 1 6.502 5.710 3.298 0.00 0.00 -0.083 Cl ATOM 50 C LIG 1 8.777 4.356 2.795 0.00 0.00 +0.020 A ATOM 51 C LIG 1 9.502 3.295 2.260 0.00 0.00 +0.003 A ATOM 52 C LIG 1 8.838 2.276 1.573 0.00 0.00 +0.023 A ENDBRANCH 43 46 ENDBRANCH 39 42 ENDBRANCH 34 36 ENDBRANCH 3 34 TORSDOF 10