REMARK Name = BDB038737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.147 -0.858 -0.092 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.880 -0.528 -0.591 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.739 -1.052 0.007 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.836 -1.871 1.069 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.043 -2.232 1.569 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.209 -1.742 0.989 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.456 -0.728 -0.482 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.743 -1.180 0.073 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.986 -1.877 1.040 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.822 -0.631 -0.759 0.00 0.00 +0.045 A ATOM 11 C LIG 1 1.247 0.122 -1.771 0.00 0.00 +0.018 A ATOM 12 C LIG 1 2.050 0.753 -2.692 0.00 0.00 +0.129 A ATOM 13 C LIG 1 3.435 0.624 -2.596 0.00 0.00 +0.043 A ATOM 14 C LIG 1 4.020 -0.150 -1.566 0.00 0.00 -0.030 A ATOM 15 F LIG 1 1.507 1.489 -3.669 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.192 -0.785 -0.625 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -0.232 0.102 -1.652 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 5.524 -0.264 -1.466 0.00 0.00 +0.117 C BRANCH 18 19 ATOM 19 N LIG 1 6.088 0.995 -0.977 0.00 0.00 -0.303 NA ATOM 20 H LIG 1 5.630 1.204 -0.085 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.548 0.945 -0.711 0.00 0.00 +0.068 C ATOM 22 C LIG 1 8.043 2.313 -0.200 0.00 0.00 +0.162 C ATOM 23 C LIG 1 9.269 1.964 0.639 0.00 0.00 +0.193 C ATOM 24 O LIG 1 9.172 0.575 1.008 0.00 0.00 -0.375 OA ATOM 25 C LIG 1 7.942 0.059 0.483 0.00 0.00 +0.184 C ATOM 26 C LIG 1 8.352 0.554 -1.966 0.00 0.00 +0.033 C BRANCH 22 27 ATOM 27 O LIG 1 7.045 2.928 0.631 0.00 0.00 -0.388 OA ATOM 28 H LIG 1 6.305 3.128 0.027 0.00 0.00 +0.210 HD ENDBRANCH 22 27 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 30 ATOM 29 C LIG 1 -6.343 0.423 0.075 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -5.372 -0.278 -0.683 0.00 0.00 -0.007 A ATOM 31 C LIG 1 -5.604 -0.445 -2.064 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -6.756 0.057 -2.678 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -7.713 0.733 -1.921 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -7.507 0.908 -0.551 0.00 0.00 +0.031 A BRANCH 29 37 ATOM 35 C LIG 1 -4.210 2.171 1.614 0.00 0.00 +0.152 C ATOM 36 N LIG 1 -5.276 1.383 2.171 0.00 0.00 -0.317 N ATOM 37 C LIG 1 -6.227 0.639 1.518 0.00 0.00 +0.164 A ATOM 38 N LIG 1 -7.055 0.149 2.424 0.00 0.00 -0.129 NA ATOM 39 N LIG 1 -6.619 0.534 3.668 0.00 0.00 -0.138 NA ATOM 40 C LIG 1 -5.549 1.272 3.501 0.00 0.00 +0.225 A ENDBRANCH 29 37 BRANCH 33 41 ATOM 41 C LIG 1 -8.898 1.242 -2.546 0.00 0.00 +0.099 C ATOM 42 N LIG 1 -9.847 1.664 -3.064 0.00 0.00 -0.191 NA ENDBRANCH 33 41 ENDBRANCH 1 30 BRANCH 5 43 ATOM 43 C LIG 1 -3.032 -3.155 2.771 0.00 0.00 +0.038 C ATOM 44 C LIG 1 -4.029 -2.999 3.896 0.00 0.00 +0.010 C ATOM 45 C LIG 1 -4.100 -4.199 2.994 0.00 0.00 +0.010 C ENDBRANCH 5 43 TORSDOF 9