REMARK Name = BDB036266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.413 0.270 -0.832 0.00 0.00 +0.045 A ATOM 2 C LIG 1 -0.069 -1.044 -0.582 0.00 0.00 +0.150 A ATOM 3 N LIG 1 -1.436 -1.219 -0.589 0.00 0.00 -0.271 N ATOM 4 C LIG 1 -1.673 -2.546 -0.312 0.00 0.00 +0.120 A ATOM 5 C LIG 1 -0.428 -3.122 -0.152 0.00 0.00 +0.077 A ATOM 6 C LIG 1 -2.345 -0.166 -0.828 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.883 1.036 -1.041 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.560 -2.173 -0.321 0.00 0.00 -0.230 NA ATOM 9 C LIG 1 -0.518 1.227 -1.024 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 1.870 1.302 -3.295 0.00 0.00 +0.044 C ATOM 11 C LIG 1 2.530 1.124 -1.956 0.00 0.00 -0.039 A ATOM 12 C LIG 1 1.842 0.642 -0.829 0.00 0.00 +0.008 A ATOM 13 C LIG 1 2.568 0.499 0.356 0.00 0.00 +0.120 A ATOM 14 N LIG 1 3.875 0.820 0.510 0.00 0.00 -0.250 NA ATOM 15 C LIG 1 4.515 1.297 -0.586 0.00 0.00 +0.126 A ATOM 16 C LIG 1 3.882 1.473 -1.815 0.00 0.00 +0.037 A BRANCH 15 17 ATOM 17 C LIG 1 5.953 1.714 -0.452 0.00 0.00 +0.264 C ATOM 18 N LIG 1 6.787 1.109 0.495 0.00 0.00 -0.302 N ATOM 19 C LIG 1 8.082 1.704 0.773 0.00 0.00 +0.132 C ATOM 20 C LIG 1 6.431 -0.059 1.285 0.00 0.00 +0.132 C ATOM 21 O LIG 1 6.360 2.602 -1.206 0.00 0.00 -0.268 OA ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 5 22 ATOM 22 C LIG 1 -0.085 -4.539 0.200 0.00 0.00 +0.098 C ATOM 23 C LIG 1 0.943 -5.138 -0.757 0.00 0.00 +0.030 C BRANCH 22 24 ATOM 24 N LIG 1 0.420 -4.540 1.576 0.00 0.00 -0.323 NA ATOM 25 H LIG 1 0.885 -5.426 1.764 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 1.152 -3.827 1.626 0.00 0.00 +0.119 HD ENDBRANCH 22 24 ENDBRANCH 5 22 BRANCH 6 27 ATOM 27 N LIG 1 -3.696 -0.450 -0.823 0.00 0.00 -0.310 N ATOM 28 H LIG 1 -3.968 -1.403 -1.026 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.700 0.537 -1.181 0.00 0.00 +0.143 C BRANCH 29 30 ATOM 30 C LIG 1 -4.932 1.551 -0.095 0.00 0.00 +0.012 A ATOM 31 C LIG 1 -5.071 1.231 1.254 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.941 -0.070 1.954 0.00 0.00 +0.080 C ATOM 33 C LIG 1 -5.519 0.317 3.315 0.00 0.00 +0.234 C ATOM 34 O LIG 1 -5.399 1.746 3.488 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 -5.302 2.220 2.205 0.00 0.00 +0.124 A ATOM 36 C LIG 1 -5.410 3.555 1.874 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -5.302 3.898 0.528 0.00 0.00 +0.042 A ATOM 38 C LIG 1 -5.075 2.905 -0.435 0.00 0.00 +0.129 A ATOM 39 F LIG 1 -5.005 3.277 -1.722 0.00 0.00 -0.205 F ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 7