REMARK Name = BDB022459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.287 -2.335 -0.901 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.103 -1.899 -1.520 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.945 -2.788 -1.815 0.00 0.00 -0.035 A ATOM 4 C LIG 1 -0.778 -4.148 -1.521 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.398 -4.601 -0.926 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.419 -3.702 -0.614 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 4.447 0.438 0.034 0.00 0.00 +0.037 A ATOM 8 C LIG 1 3.188 0.594 0.619 0.00 0.00 +0.069 A ATOM 9 C LIG 1 2.142 -0.296 0.328 0.00 0.00 +0.130 A ATOM 10 C LIG 1 2.355 -1.377 -0.557 0.00 0.00 +0.024 A ATOM 11 C LIG 1 3.627 -1.526 -1.133 0.00 0.00 +0.014 A ATOM 12 C LIG 1 4.659 -0.630 -0.842 0.00 0.00 +0.024 A BRANCH 7 14 ATOM 13 C LIG 1 5.560 2.435 1.048 0.00 0.00 +0.241 C ATOM 14 N LIG 1 5.543 1.293 0.279 0.00 0.00 -0.282 N ATOM 15 H LIG 1 6.397 1.064 -0.210 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 4.616 2.969 1.618 0.00 0.00 -0.271 OA BRANCH 13 18 ATOM 17 C LIG 1 8.072 2.470 1.127 0.00 0.00 +0.013 C ATOM 18 C LIG 1 6.891 3.103 1.113 0.00 0.00 +0.060 C ENDBRANCH 13 18 ENDBRANCH 7 14 BRANCH 9 19 ATOM 19 O LIG 1 0.887 -0.210 0.884 0.00 0.00 -0.494 OA ATOM 20 C LIG 1 0.553 0.984 1.579 0.00 0.00 +0.277 C ENDBRANCH 9 19 ENDBRANCH 1 10 BRANCH 3 21 ATOM 21 C LIG 1 -2.239 -2.295 -2.442 0.00 0.00 +0.102 C ATOM 22 C LIG 1 -2.042 -2.069 -3.943 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -2.811 -1.042 -1.755 0.00 0.00 +0.225 C ATOM 24 N LIG 1 -2.970 -1.199 -0.394 0.00 0.00 -0.268 N ATOM 25 H LIG 1 -2.631 -2.030 0.072 0.00 0.00 +0.156 HD ATOM 26 O LIG 1 -3.129 -0.040 -2.393 0.00 0.00 -0.275 OA BRANCH 24 27 ATOM 27 C LIG 1 -3.463 -0.254 0.470 0.00 0.00 +0.147 A ATOM 28 N LIG 1 -3.517 -0.547 1.774 0.00 0.00 -0.158 NA ATOM 29 N LIG 1 -4.028 0.561 2.337 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -4.160 0.580 3.342 0.00 0.00 +0.189 HD ATOM 31 C LIG 1 -4.309 1.540 1.436 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -3.949 1.046 0.208 0.00 0.00 +0.068 A BRANCH 31 33 ATOM 33 C LIG 1 -4.886 2.937 1.744 0.00 0.00 +0.037 C ATOM 34 C LIG 1 -6.153 3.369 1.055 0.00 0.00 +0.010 C ATOM 35 C LIG 1 -6.173 3.040 2.519 0.00 0.00 +0.010 C ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 21 23 ENDBRANCH 3 21 TORSDOF 8