REMARK Name = BDB057297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.744 0.148 -0.874 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.422 0.897 -2.179 0.00 0.00 +0.237 C ATOM 3 N LIG 1 0.638 0.464 -2.940 0.00 0.00 -0.290 N ATOM 4 C LIG 1 1.739 -0.426 -2.566 0.00 0.00 +0.142 C ATOM 5 C LIG 1 2.162 -1.004 -3.920 0.00 0.00 +0.032 C ATOM 6 C LIG 1 1.970 0.164 -4.887 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.786 0.928 -4.311 0.00 0.00 +0.108 C ATOM 8 O LIG 1 -1.169 1.801 -2.569 0.00 0.00 -0.274 OA BRANCH 4 9 ATOM 9 C LIG 1 2.848 0.371 -1.922 0.00 0.00 +0.129 A ATOM 10 N LIG 1 2.806 0.799 -0.615 0.00 0.00 -0.340 N ATOM 11 H LIG 1 2.052 0.666 0.052 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 3.955 1.499 -0.349 0.00 0.00 +0.066 A ATOM 13 C LIG 1 4.664 1.461 -1.537 0.00 0.00 +0.089 A ATOM 14 C LIG 1 5.907 2.109 -1.619 0.00 0.00 +0.030 A ATOM 15 C LIG 1 6.388 2.775 -0.486 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.647 2.800 0.697 0.00 0.00 +0.002 A ATOM 17 C LIG 1 4.405 2.160 0.794 0.00 0.00 +0.028 A ATOM 18 N LIG 1 3.977 0.758 -2.494 0.00 0.00 -0.231 NA ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 20 ATOM 19 C LIG 1 -0.336 1.677 1.036 0.00 0.00 +0.230 C ATOM 20 N LIG 1 -1.187 1.139 0.098 0.00 0.00 -0.302 N ATOM 21 H LIG 1 -1.989 1.722 -0.132 0.00 0.00 +0.150 HD ATOM 22 O LIG 1 0.792 1.228 1.236 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 -0.904 2.930 1.748 0.00 0.00 +0.137 C ATOM 24 C LIG 1 -0.261 3.094 3.123 0.00 0.00 +0.034 C BRANCH 23 26 ATOM 25 C LIG 1 -3.021 4.101 2.057 0.00 0.00 +0.101 C ATOM 26 N LIG 1 -2.381 2.815 1.822 0.00 0.00 -0.309 NA ATOM 27 H LIG 1 -2.620 2.171 2.573 0.00 0.00 +0.122 HD ENDBRANCH 23 26 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 1 28 ATOM 28 C LIG 1 -1.840 -0.882 -1.188 0.00 0.00 +0.067 C BRANCH 28 29 ATOM 29 C LIG 1 -2.043 -1.884 -0.072 0.00 0.00 -0.045 A ATOM 30 C LIG 1 -1.428 -3.140 -0.125 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -1.596 -4.053 0.920 0.00 0.00 +0.028 A ATOM 32 C LIG 1 -2.381 -3.733 2.026 0.00 0.00 +0.068 A ATOM 33 C LIG 1 -2.977 -2.473 2.093 0.00 0.00 +0.028 A ATOM 34 C LIG 1 -2.820 -1.558 1.048 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 N LIG 1 -2.522 -4.654 3.072 0.00 0.00 -0.215 NA ATOM 36 C LIG 1 -3.593 -5.370 3.148 0.00 0.00 +0.193 C BRANCH 36 37 ATOM 37 N LIG 1 -3.703 -6.285 4.139 0.00 0.00 -0.370 N ATOM 38 H LIG 1 -2.931 -6.183 4.791 0.00 0.00 +0.159 HD ATOM 39 H LIG 1 -4.587 -6.291 4.626 0.00 0.00 +0.159 HD ENDBRANCH 36 37 BRANCH 36 40 ATOM 40 N LIG 1 -4.665 -5.383 2.327 0.00 0.00 -0.370 N ATOM 41 H LIG 1 -4.715 -4.631 1.650 0.00 0.00 +0.159 HD ATOM 42 H LIG 1 -5.556 -5.658 2.709 0.00 0.00 +0.159 HD ENDBRANCH 36 40 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 10