REMARK Name = BDB039363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.083 1.719 0.589 0.00 0.00 +0.133 A ATOM 2 C LIG 1 -2.147 0.916 0.202 0.00 0.00 +0.083 A ATOM 3 C LIG 1 -3.530 1.278 -0.162 0.00 0.00 +0.251 C ATOM 4 N LIG 1 -4.166 0.105 -0.554 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -3.347 -1.067 -0.304 0.00 0.00 +0.145 C ATOM 6 O LIG 1 -4.021 2.388 -0.104 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -2.042 -0.475 0.107 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -0.852 -1.117 0.399 0.00 0.00 +0.016 A ATOM 9 C LIG 1 0.244 -0.335 0.788 0.00 0.00 +0.003 A ATOM 10 C LIG 1 0.125 1.072 0.879 0.00 0.00 +0.056 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -5.606 -0.010 -0.767 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.367 0.011 0.568 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -5.909 -0.441 1.617 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -7.668 0.457 0.513 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.177 0.437 1.386 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -8.395 0.797 -0.599 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -9.600 1.023 -0.523 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -7.663 0.780 -1.921 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -6.175 1.031 -1.730 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 9 20 ATOM 20 C LIG 1 1.529 -0.979 1.094 0.00 0.00 +0.056 A ATOM 21 N LIG 1 1.795 -1.585 2.331 0.00 0.00 -0.299 N ATOM 22 C LIG 1 2.999 -2.206 2.630 0.00 0.00 +0.066 A ATOM 23 C LIG 1 2.865 -2.672 3.917 0.00 0.00 +0.138 A ATOM 24 N LIG 1 1.627 -2.365 4.422 0.00 0.00 -0.243 NA ATOM 25 C LIG 1 4.013 -2.219 1.636 0.00 0.00 +0.032 A ATOM 26 C LIG 1 3.789 -1.631 0.439 0.00 0.00 -0.029 A ATOM 27 C LIG 1 1.015 -1.711 3.458 0.00 0.00 +0.204 A ATOM 28 C LIG 1 2.497 -0.998 0.152 0.00 0.00 +0.031 A BRANCH 26 29 ATOM 29 C LIG 1 4.832 -1.642 -0.661 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 5.916 -0.671 -0.437 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 5.500 0.723 -0.649 0.00 0.00 +0.085 C ATOM 32 C LIG 1 5.601 0.966 -2.148 0.00 0.00 +0.017 C ATOM 33 C LIG 1 6.601 -0.068 -2.647 0.00 0.00 +0.017 C ATOM 34 C LIG 1 7.004 -0.858 -1.411 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 9 20 BRANCH 1 36 ATOM 35 C LIG 1 -0.257 3.871 1.186 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -1.290 3.064 0.639 0.00 0.00 -0.494 OA ENDBRANCH 1 36 TORSDOF 5