REMARK Name = BDB064582 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.422 0.395 0.622 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.224 0.656 1.806 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.601 -0.107 2.348 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.897 1.294 -0.075 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 2.911 -1.106 0.032 0.00 0.00 +0.237 C ATOM 6 N LIG 1 1.680 -1.547 -0.485 0.00 0.00 -0.286 N ATOM 7 C LIG 1 0.453 -1.083 0.172 0.00 0.00 +0.164 C ATOM 8 C LIG 1 0.161 -2.192 1.172 0.00 0.00 +0.065 C ATOM 9 C LIG 1 0.454 -3.438 0.330 0.00 0.00 +0.134 C ATOM 10 C LIG 1 1.537 -2.991 -0.679 0.00 0.00 +0.140 C ATOM 11 O LIG 1 2.977 -0.547 1.127 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 -0.728 -3.820 -0.368 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -1.360 -4.176 0.282 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 4.185 -1.483 -0.800 0.00 0.00 +0.164 C BRANCH 14 17 ATOM 15 C LIG 1 2.782 0.438 -2.853 0.00 0.00 +0.109 C ATOM 16 C LIG 1 3.490 -0.840 -3.199 0.00 0.00 +0.211 C ATOM 17 N LIG 1 3.920 -1.694 -2.234 0.00 0.00 -0.304 N ATOM 18 H LIG 1 4.391 -2.486 -2.657 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 3.650 -1.175 -4.374 0.00 0.00 -0.276 OA ENDBRANCH 14 17 BRANCH 14 20 ATOM 20 C LIG 1 5.498 -0.675 -0.493 0.00 0.00 -0.011 C ATOM 21 C LIG 1 5.342 0.844 -0.665 0.00 0.00 +0.013 C ATOM 22 C LIG 1 5.973 -0.951 0.954 0.00 0.00 +0.013 C ATOM 23 C LIG 1 6.641 -1.146 -1.425 0.00 0.00 +0.013 C ENDBRANCH 14 20 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 -0.505 2.003 2.325 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 0.763 2.703 2.846 0.00 0.00 +0.231 C ATOM 26 O LIG 1 0.888 3.058 4.016 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 1.734 2.977 1.928 0.00 0.00 -0.328 N ATOM 28 H LIG 1 2.622 3.307 2.280 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 1.745 2.457 1.049 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 -1.287 2.915 1.363 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 -2.611 2.314 0.946 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -2.754 1.714 -0.308 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.961 1.111 -0.681 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.065 1.090 0.186 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -4.908 1.711 1.441 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -3.702 2.312 1.817 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 -6.403 0.427 -0.186 0.00 0.00 -0.013 C ATOM 38 C LIG 1 -7.528 1.485 -0.176 0.00 0.00 +0.015 C ATOM 39 C LIG 1 -6.406 -0.232 -1.585 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -6.737 -0.681 0.837 0.00 0.00 +0.015 C ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10