REMARK Name = BDB024754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.053 -2.701 0.459 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.550 -1.419 0.181 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.538 -0.393 -0.215 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.405 0.040 0.979 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.942 0.873 -0.851 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.751 0.528 -1.719 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.731 -0.126 -0.833 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.356 0.177 -0.921 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.720 1.056 -1.756 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 0.565 1.000 -1.456 0.00 0.00 +0.115 A ATOM 11 N LIG 1 0.786 0.087 -0.439 0.00 0.00 -0.324 N ATOM 12 C LIG 1 -0.442 -0.451 -0.087 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.838 -1.402 0.858 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.205 -1.705 0.934 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.153 -1.099 0.099 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -6.253 -2.956 0.538 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 2.052 -0.315 0.171 0.00 0.00 +0.089 C ATOM 18 C LIG 1 2.841 0.831 0.812 0.00 0.00 +0.026 C ATOM 19 C LIG 1 4.022 0.306 1.637 0.00 0.00 +0.013 C ATOM 20 C LIG 1 4.790 -0.854 0.970 0.00 0.00 +0.058 C ATOM 21 C LIG 1 4.423 -1.018 -0.513 0.00 0.00 +0.013 C ATOM 22 C LIG 1 2.918 -1.176 -0.766 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 4.590 -2.135 1.714 0.00 0.00 +0.152 A ATOM 24 N LIG 1 5.612 -2.908 2.189 0.00 0.00 -0.242 N ATOM 25 H LIG 1 6.614 -2.775 2.136 0.00 0.00 +0.192 HD ATOM 26 N LIG 1 5.120 -3.989 2.805 0.00 0.00 -0.047 NA ATOM 27 N LIG 1 3.804 -3.873 2.708 0.00 0.00 -0.023 NA ATOM 28 N LIG 1 3.459 -2.728 2.034 0.00 0.00 -0.113 NA ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 -4.612 -4.984 0.803 0.00 0.00 +0.282 C ATOM 30 O LIG 1 -4.102 -3.672 0.565 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 1.606 1.814 -2.170 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 1.857 3.197 -1.597 0.00 0.00 -0.040 A ATOM 33 C LIG 1 3.132 3.773 -1.724 0.00 0.00 +0.004 A ATOM 34 C LIG 1 3.390 5.054 -1.232 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.373 5.784 -0.621 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.098 5.237 -0.510 0.00 0.00 +0.000 A ATOM 37 C LIG 1 0.838 3.957 -1.003 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5