REMARK Name = BDB025028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.046 -0.274 -0.428 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.823 -0.956 -0.582 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.963 -2.381 -0.938 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.466 -3.199 0.264 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.693 -2.984 -1.531 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.530 -2.773 -0.586 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.385 -1.310 -0.285 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.109 -0.788 0.033 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.082 -1.449 0.155 0.00 0.00 -0.230 NA ATOM 10 C LIG 1 -0.989 -0.539 0.460 0.00 0.00 +0.135 A ATOM 11 N LIG 1 -0.423 0.717 0.530 0.00 0.00 -0.323 N ATOM 12 C LIG 1 0.932 0.566 0.253 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.992 1.466 0.163 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.259 0.940 -0.133 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.501 -0.432 -0.312 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.116 -0.716 -0.844 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.009 2.020 0.836 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.456 2.234 0.388 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -2.964 3.654 0.649 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -2.689 4.112 2.088 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.268 3.829 2.575 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -0.839 2.387 2.316 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.404 4.608 -0.390 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.464 5.365 -0.210 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.037 4.515 -1.582 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -3.764 3.860 -1.597 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -2.502 -1.028 0.650 0.00 0.00 +0.095 C ATOM 28 C LIG 1 -2.650 -2.088 1.753 0.00 0.00 +0.036 C ATOM 29 C LIG 1 -3.234 -0.734 1.944 0.00 0.00 +0.036 C BRANCH 27 30 ATOM 30 N LIG 1 -3.197 -1.330 -0.593 0.00 0.00 -0.289 N ATOM 31 C LIG 1 -4.196 -0.519 -1.118 0.00 0.00 +0.216 C ATOM 32 O LIG 1 -4.646 0.493 -0.585 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 -4.696 -0.965 -2.479 0.00 0.00 +0.096 C ATOM 34 C LIG 1 -4.961 -2.463 -2.496 0.00 0.00 +0.011 C ATOM 35 C LIG 1 -3.777 -3.281 -1.979 0.00 0.00 +0.019 C ATOM 36 C LIG 1 -2.659 -2.413 -1.413 0.00 0.00 +0.109 C ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 38 ATOM 37 C LIG 1 7.234 1.532 0.491 0.00 0.00 +0.282 C ATOM 38 O LIG 1 5.979 0.881 0.289 0.00 0.00 -0.453 OA ENDBRANCH 1 38 TORSDOF 6