REMARK Name = BDB042137 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.076 -1.413 1.689 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -1.049 -0.634 1.519 0.00 0.00 -0.289 N ATOM 3 C LIG 1 -2.296 -0.748 2.318 0.00 0.00 +0.092 C ATOM 4 C LIG 1 -3.499 -0.538 1.368 0.00 0.00 +0.108 C ATOM 5 N LIG 1 -3.523 0.857 0.884 0.00 0.00 -0.288 NA ATOM 6 C LIG 1 -2.169 1.350 0.570 0.00 0.00 +0.108 C ATOM 7 C LIG 1 -1.776 0.542 3.014 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -1.154 0.844 1.619 0.00 0.00 +0.092 C ATOM 9 O LIG 1 0.108 -2.412 2.401 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.828 -0.441 0.134 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.961 -0.026 -0.871 0.00 0.00 +0.251 C ATOM 12 O LIG 1 5.245 0.448 -1.952 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.603 -0.290 -0.391 0.00 0.00 +0.077 A ATOM 14 C LIG 1 3.697 -0.930 0.844 0.00 0.00 -0.014 A ATOM 15 C LIG 1 2.551 -1.301 1.530 0.00 0.00 +0.019 A ATOM 16 C LIG 1 1.302 -1.004 0.954 0.00 0.00 +0.040 A ATOM 17 C LIG 1 1.224 -0.378 -0.306 0.00 0.00 +0.052 A ATOM 18 C LIG 1 2.388 -0.014 -0.978 0.00 0.00 +0.137 A ATOM 19 F LIG 1 2.301 0.591 -2.168 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.129 -1.135 1.205 0.00 0.00 +0.144 C BRANCH 10 27 ATOM 21 O LIG 1 10.868 -0.905 -2.048 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 9.776 -0.761 -1.505 0.00 0.00 +0.219 C ATOM 23 N LIG 1 8.821 -1.744 -1.567 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.062 -2.562 -2.109 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.617 -1.796 -0.901 0.00 0.00 +0.240 C ATOM 26 O LIG 1 6.932 -2.818 -0.933 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 7.272 -0.574 -0.037 0.00 0.00 +0.163 C ATOM 28 C LIG 1 7.948 0.682 -0.587 0.00 0.00 +0.041 C ATOM 29 C LIG 1 9.449 0.452 -0.665 0.00 0.00 +0.098 C ENDBRANCH 10 27 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 -4.549 1.201 -0.128 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 C LIG 1 -5.968 1.358 0.458 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -7.088 1.461 -0.391 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -8.374 1.653 0.122 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.566 1.775 1.494 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.473 1.717 2.352 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.187 1.523 1.838 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.465 0.354 -1.405 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -3.763 0.838 -2.523 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -3.667 0.082 -3.693 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.273 -1.170 -3.766 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.977 -1.666 -2.671 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -5.072 -0.911 -1.501 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 5 30 TORSDOF 5