REMARK Name = BDB039427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.956 -5.351 -0.595 0.00 0.00 +0.150 C ATOM 2 N LIG 1 -2.664 -4.117 -0.839 0.00 0.00 -0.335 N ATOM 3 C LIG 1 -2.069 -2.882 -0.891 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -3.063 -1.942 -1.141 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.684 -0.587 -1.240 0.00 0.00 -0.021 A ATOM 6 C LIG 1 -1.312 -0.318 -1.070 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -0.400 -1.349 -0.815 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -4.290 -2.660 -1.234 0.00 0.00 +0.029 A ATOM 9 N LIG 1 -0.753 -2.653 -0.728 0.00 0.00 -0.229 NA ATOM 10 C LIG 1 -4.013 -3.997 -1.045 0.00 0.00 +0.088 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.043 -1.084 -0.632 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.501 0.017 0.124 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.865 0.222 0.268 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.596 1.300 0.994 0.00 0.00 +0.144 C ATOM 15 N LIG 1 4.990 0.909 0.832 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.128 -0.177 -0.015 0.00 0.00 +0.248 C ATOM 17 O LIG 1 6.147 -0.657 -0.468 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.774 -0.647 -0.328 0.00 0.00 +0.042 A ATOM 19 C LIG 1 3.380 -1.737 -1.074 0.00 0.00 +0.014 A ATOM 20 C LIG 1 2.005 -1.952 -1.216 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.072 1.787 1.264 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.606 2.590 0.077 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.892 3.361 -0.566 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.913 2.387 -0.279 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.242 2.922 -1.071 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.796 1.460 0.206 0.00 0.00 +0.219 C ATOM 27 O LIG 1 9.931 1.378 -0.258 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.311 0.541 1.298 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.166 1.130 2.102 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 7 11 BRANCH 5 30 ATOM 30 C LIG 1 -3.652 0.536 -1.534 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 -4.685 0.700 -0.500 0.00 0.00 -0.291 NA ATOM 32 C LIG 1 -5.739 1.609 -0.990 0.00 0.00 +0.139 C ATOM 33 C LIG 1 -6.732 1.922 0.070 0.00 0.00 +0.053 A ATOM 34 N LIG 1 -6.433 1.746 1.391 0.00 0.00 -0.266 N ATOM 35 N LIG 1 -7.414 2.119 2.230 0.00 0.00 -0.179 NA ATOM 36 C LIG 1 -8.384 2.523 1.404 0.00 0.00 +0.134 A ATOM 37 C LIG 1 -5.196 1.178 1.881 0.00 0.00 +0.159 C ATOM 38 C LIG 1 -8.014 2.425 0.048 0.00 0.00 +0.045 A ATOM 39 C LIG 1 -4.131 1.187 0.779 0.00 0.00 +0.108 C ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 4