REMARK Name = BDB061351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.125 0.384 -0.494 0.00 0.00 +0.038 A ATOM 2 C LIG 1 5.444 -0.441 0.589 0.00 0.00 +0.069 A ATOM 3 C LIG 1 4.519 -0.670 1.612 0.00 0.00 +0.130 A ATOM 4 O LIG 1 4.949 -1.487 2.624 0.00 0.00 -0.491 OA ATOM 5 C LIG 1 3.909 -2.021 3.445 0.00 0.00 +0.234 C ATOM 6 C LIG 1 2.963 -0.936 3.923 0.00 0.00 +0.104 C ATOM 7 C LIG 1 2.288 -0.289 2.717 0.00 0.00 +0.222 C ATOM 8 C LIG 1 1.070 -1.089 2.294 0.00 0.00 +0.274 C ATOM 9 O LIG 1 1.056 -2.236 1.873 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -0.014 -0.306 2.510 0.00 0.00 -0.195 N ATOM 11 C LIG 1 0.350 0.892 3.004 0.00 0.00 +0.411 C ATOM 12 O LIG 1 -0.399 1.806 3.309 0.00 0.00 -0.226 OA ATOM 13 O LIG 1 1.702 0.952 3.155 0.00 0.00 -0.429 OA ATOM 14 C LIG 1 3.263 -0.057 1.590 0.00 0.00 +0.047 A ATOM 15 C LIG 1 2.942 0.761 0.495 0.00 0.00 +0.013 A ATOM 16 C LIG 1 3.864 0.976 -0.537 0.00 0.00 +0.024 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 7.311 1.972 -4.593 0.00 0.00 +0.129 C ATOM 18 N LIG 1 7.180 1.204 -3.378 0.00 0.00 -0.302 N ATOM 19 H LIG 1 7.494 0.247 -3.424 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 6.075 1.407 -2.569 0.00 0.00 +0.304 C ATOM 21 N LIG 1 6.105 0.548 -1.493 0.00 0.00 -0.269 N ATOM 22 H LIG 1 6.993 0.098 -1.332 0.00 0.00 +0.156 HD ATOM 23 O LIG 1 5.227 2.254 -2.814 0.00 0.00 -0.253 OA ENDBRANCH 1 21 BRANCH 10 24 ATOM 24 C LIG 1 -1.362 -0.648 2.115 0.00 0.00 +0.215 C BRANCH 24 25 ATOM 25 C LIG 1 -1.573 -0.228 0.653 0.00 0.00 +0.234 C ATOM 26 N LIG 1 -2.792 -0.549 0.059 0.00 0.00 -0.293 N ATOM 27 C LIG 1 -3.874 -1.303 0.705 0.00 0.00 +0.080 C ATOM 28 C LIG 1 -5.269 -0.758 0.351 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -5.375 0.753 0.556 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.782 1.630 -0.528 0.00 0.00 -0.040 A ATOM 31 C LIG 1 -3.695 1.266 -1.355 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -3.221 2.189 -2.312 0.00 0.00 +0.008 A ATOM 33 C LIG 1 -3.787 3.456 -2.439 0.00 0.00 +0.038 A ATOM 34 C LIG 1 -4.837 3.812 -1.610 0.00 0.00 +0.124 A ATOM 35 F LIG 1 -5.385 5.029 -1.720 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.330 2.922 -0.664 0.00 0.00 +0.042 A ATOM 37 C LIG 1 -3.020 -0.090 -1.305 0.00 0.00 +0.143 C ATOM 38 O LIG 1 -0.690 0.383 0.043 0.00 0.00 -0.274 OA BRANCH 27 39 ATOM 39 C LIG 1 -3.662 -2.777 0.418 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -4.752 -3.809 0.588 0.00 0.00 +0.006 C ATOM 41 C LIG 1 -4.231 -3.489 -0.787 0.00 0.00 +0.006 C ENDBRANCH 27 39 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 4