REMARK Name = BDB027515 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.281 0.513 1.577 0.00 0.00 +0.247 C ATOM 2 N LIG 1 1.318 -0.384 1.120 0.00 0.00 -0.296 N ATOM 3 C LIG 1 -0.011 -0.332 1.733 0.00 0.00 +0.130 C ATOM 4 C LIG 1 -1.112 -0.880 0.803 0.00 0.00 +0.090 C ATOM 5 C LIG 1 -0.792 -2.329 0.378 0.00 0.00 +0.025 C ATOM 6 C LIG 1 0.682 -2.704 0.535 0.00 0.00 +0.021 C ATOM 7 C LIG 1 1.605 -1.526 0.249 0.00 0.00 +0.108 C ATOM 8 O LIG 1 2.092 1.294 2.506 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 6.130 0.635 -0.302 0.00 0.00 +0.034 A ATOM 10 C LIG 1 6.013 0.412 1.073 0.00 0.00 +0.024 A ATOM 11 C LIG 1 4.753 0.373 1.682 0.00 0.00 +0.015 A ATOM 12 C LIG 1 3.602 0.541 0.911 0.00 0.00 +0.037 A ATOM 13 C LIG 1 3.705 0.790 -0.459 0.00 0.00 +0.015 A ATOM 14 C LIG 1 4.967 0.833 -1.061 0.00 0.00 +0.024 A BRANCH 9 16 ATOM 15 C LIG 1 8.615 0.455 -0.470 0.00 0.00 +0.241 C ATOM 16 N LIG 1 7.362 0.696 -0.986 0.00 0.00 -0.282 N ATOM 17 H LIG 1 7.309 0.891 -1.975 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 8.898 0.062 0.654 0.00 0.00 -0.271 OA BRANCH 15 20 ATOM 19 C LIG 1 9.744 1.559 -2.426 0.00 0.00 +0.013 C ATOM 20 C LIG 1 9.720 0.638 -1.453 0.00 0.00 +0.060 C ENDBRANCH 15 20 ENDBRANCH 9 16 ENDBRANCH 1 12 BRANCH 4 21 ATOM 21 N LIG 1 -2.408 -0.823 1.476 0.00 0.00 -0.309 N ATOM 22 H LIG 1 -2.513 -0.083 2.165 0.00 0.00 +0.149 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.516 -0.692 0.651 0.00 0.00 +0.216 A ATOM 24 N LIG 1 -4.516 0.042 1.155 0.00 0.00 -0.214 NA ATOM 25 C LIG 1 -5.625 0.198 0.419 0.00 0.00 +0.077 A ATOM 26 C LIG 1 -5.762 -0.376 -0.847 0.00 0.00 +0.019 A ATOM 27 C LIG 1 -6.935 -0.202 -1.607 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -7.988 0.551 -1.091 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -7.867 1.122 0.178 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -4.667 -1.105 -1.278 0.00 0.00 +0.124 A ATOM 31 C LIG 1 -6.684 0.948 0.912 0.00 0.00 +0.041 A ATOM 32 N LIG 1 -3.545 -1.271 -0.554 0.00 0.00 -0.222 NA BRANCH 29 33 ATOM 33 C LIG 1 -8.951 1.942 0.778 0.00 0.00 +0.242 C ATOM 34 O LIG 1 -8.722 2.773 1.645 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -10.228 1.708 0.349 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -10.488 0.852 -0.121 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -10.954 2.185 0.869 0.00 0.00 +0.145 HD ENDBRANCH 29 33 ENDBRANCH 21 23 ENDBRANCH 4 21 TORSDOF 6