REMARK Name = BDB039382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.879 0.547 -0.152 0.00 0.00 +0.074 A ATOM 2 N LIG 1 -1.238 -0.754 -0.049 0.00 0.00 -0.229 NA ATOM 3 C LIG 1 -2.554 -0.986 -0.214 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.545 -0.045 -0.481 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -4.774 -0.757 -0.561 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -4.505 -2.091 -0.341 0.00 0.00 +0.088 A ATOM 7 C LIG 1 -3.158 1.304 -0.604 0.00 0.00 -0.021 A ATOM 8 N LIG 1 -3.153 -2.223 -0.137 0.00 0.00 -0.329 N ATOM 9 C LIG 1 -1.785 1.572 -0.432 0.00 0.00 +0.034 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.170 0.104 -0.060 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.745 1.308 0.483 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.418 2.223 0.916 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.279 1.304 0.426 0.00 0.00 +0.042 A ATOM 14 C LIG 1 2.874 0.144 -0.224 0.00 0.00 -0.017 A ATOM 15 C LIG 1 1.526 -0.114 -0.417 0.00 0.00 +0.016 A ATOM 16 C LIG 1 0.565 0.811 0.048 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.022 1.981 0.713 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.384 2.239 0.903 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.065 -0.652 -0.635 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 10.537 0.528 -1.232 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 9.356 0.370 -0.933 0.00 0.00 +0.219 C ATOM 22 N LIG 1 8.353 0.787 -1.772 0.00 0.00 -0.255 N ATOM 23 H LIG 1 8.649 1.252 -2.619 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 7.002 0.551 -1.658 0.00 0.00 +0.240 C ATOM 25 O LIG 1 6.242 0.843 -2.580 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 6.555 -0.204 -0.396 0.00 0.00 +0.163 C ATOM 27 C LIG 1 7.535 0.040 0.751 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.933 -0.369 0.315 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 8 29 ATOM 29 C LIG 1 -2.445 -3.471 0.140 0.00 0.00 +0.093 C ATOM 30 C LIG 1 -2.672 -4.544 -0.939 0.00 0.00 +0.053 C ATOM 31 C LIG 1 -3.573 -5.654 -0.422 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -3.041 -6.297 0.735 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -2.356 -5.449 1.656 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -2.762 -3.990 1.548 0.00 0.00 +0.053 C ENDBRANCH 8 29 BRANCH 7 35 ATOM 35 C LIG 1 -4.112 2.438 -0.901 0.00 0.00 +0.120 C BRANCH 35 36 ATOM 36 N LIG 1 -4.129 3.453 0.158 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 -4.940 4.614 -0.213 0.00 0.00 +0.085 C ATOM 38 C LIG 1 -5.126 5.336 1.112 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.011 4.250 2.175 0.00 0.00 +0.017 C ATOM 40 C LIG 1 -4.723 2.967 1.407 0.00 0.00 +0.085 C ENDBRANCH 35 36 ENDBRANCH 7 35 TORSDOF 5