REMARK Name = BDB036139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.844 -0.493 -2.216 0.00 0.00 +0.187 A ATOM 2 C LIG 1 -3.928 0.388 -2.238 0.00 0.00 +0.280 A ATOM 3 N LIG 1 -5.063 0.084 -2.915 0.00 0.00 -0.106 NA ATOM 4 N LIG 1 -5.133 -1.098 -3.566 0.00 0.00 -0.134 NA ATOM 5 C LIG 1 -4.061 -1.914 -3.528 0.00 0.00 +0.247 A ATOM 6 N LIG 1 -2.910 -1.669 -2.884 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 2.816 0.191 0.595 0.00 0.00 -0.302 NA ATOM 8 C LIG 1 1.998 1.338 0.162 0.00 0.00 +0.085 C ATOM 9 C LIG 1 0.935 0.964 -0.868 0.00 0.00 +0.025 C ATOM 10 C LIG 1 -0.018 -0.106 -0.295 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -1.509 0.328 -0.214 0.00 0.00 +0.115 C ATOM 12 N LIG 1 -1.635 -0.177 -1.559 0.00 0.00 -0.310 N ATOM 13 C LIG 1 -0.549 -1.097 -1.369 0.00 0.00 +0.115 C ATOM 14 C LIG 1 0.537 -0.779 0.963 0.00 0.00 +0.025 C ATOM 15 C LIG 1 2.029 -1.048 0.753 0.00 0.00 +0.085 C BRANCH 7 16 ATOM 16 C LIG 1 3.981 -0.003 -0.286 0.00 0.00 +0.088 C BRANCH 16 25 ATOM 17 C LIG 1 11.290 -0.569 2.622 0.00 0.00 +0.015 C ATOM 18 C LIG 1 9.919 -0.070 2.200 0.00 0.00 +0.053 C ATOM 19 C LIG 1 9.972 0.818 0.976 0.00 0.00 +0.137 C ATOM 20 O LIG 1 10.760 1.745 0.829 0.00 0.00 -0.297 OA ATOM 21 C LIG 1 8.944 0.428 -0.059 0.00 0.00 +0.081 C ATOM 22 C LIG 1 8.025 -0.551 0.708 0.00 0.00 -0.022 C ATOM 23 C LIG 1 6.889 0.227 1.434 0.00 0.00 +0.007 C ATOM 24 C LIG 1 5.630 -0.623 1.598 0.00 0.00 +0.005 C ATOM 25 C LIG 1 5.028 -1.018 0.233 0.00 0.00 +0.003 C ATOM 26 C LIG 1 6.121 -1.208 -0.842 0.00 0.00 +0.005 C ATOM 27 C LIG 1 7.448 -1.639 -0.228 0.00 0.00 +0.007 C ATOM 28 C LIG 1 9.004 -1.200 1.716 0.00 0.00 +0.018 C ENDBRANCH 16 25 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 2 29 ATOM 29 O LIG 1 -3.807 1.623 -1.615 0.00 0.00 -0.434 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.927 2.416 -1.616 0.00 0.00 +0.143 A ATOM 31 C LIG 1 -5.882 2.334 -0.594 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -6.973 3.212 -0.584 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -7.113 4.131 -1.618 0.00 0.00 +0.124 A ATOM 34 F LIG 1 -8.169 4.955 -1.627 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -6.174 4.212 -2.644 0.00 0.00 +0.042 A ATOM 36 C LIG 1 -5.066 3.364 -2.636 0.00 0.00 +0.050 A BRANCH 31 37 ATOM 37 C LIG 1 -5.706 1.386 0.523 0.00 0.00 +0.251 C ATOM 38 N LIG 1 -6.674 0.377 0.742 0.00 0.00 -0.292 N ATOM 39 O LIG 1 -4.724 1.562 1.244 0.00 0.00 -0.270 OA BRANCH 38 40 ATOM 40 C LIG 1 -6.489 -0.399 1.995 0.00 0.00 +0.070 C ATOM 41 C LIG 1 -5.441 -1.510 1.855 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -7.766 -0.925 2.649 0.00 0.00 +0.028 C ENDBRANCH 38 40 BRANCH 38 43 ATOM 43 C LIG 1 -7.600 -0.066 -0.342 0.00 0.00 +0.070 C ATOM 44 C LIG 1 -7.407 -1.521 -0.774 0.00 0.00 +0.028 C ATOM 45 C LIG 1 -9.069 0.240 -0.041 0.00 0.00 +0.028 C ENDBRANCH 38 43 ENDBRANCH 31 37 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 8