REMARK Name = BDB057462 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.653 -1.105 -0.814 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -0.422 -0.884 -1.690 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -1.706 -0.613 -1.197 0.00 0.00 -0.039 A ATOM 4 C LIG 1 -2.862 -0.341 -2.130 0.00 0.00 +0.040 C ATOM 5 C LIG 1 -3.936 -1.435 -2.078 0.00 0.00 +0.040 C ATOM 6 C LIG 1 -4.700 -1.703 -0.790 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -4.391 -1.169 0.478 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -3.268 -0.216 0.690 0.00 0.00 -0.004 C ATOM 9 C LIG 1 -3.468 1.014 1.241 0.00 0.00 +0.005 C ATOM 10 C LIG 1 -4.804 1.566 1.681 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -5.120 -1.605 1.604 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -6.175 -2.507 1.478 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.508 -3.006 0.227 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -5.772 -2.616 -0.892 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -1.916 -0.571 0.190 0.00 0.00 -0.014 A ATOM 16 C LIG 1 -0.862 -0.845 1.068 0.00 0.00 +0.009 A ATOM 17 C LIG 1 0.412 -1.110 0.568 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 -2.440 1.997 1.434 0.00 0.00 +0.201 A ATOM 19 N LIG 1 -1.642 2.544 0.503 0.00 0.00 -0.133 NA ATOM 20 N LIG 1 -0.872 3.315 1.284 0.00 0.00 -0.176 N ATOM 21 H LIG 1 -0.097 3.857 0.913 0.00 0.00 +0.214 HD ATOM 22 N LIG 1 -1.185 3.333 2.586 0.00 0.00 -0.049 NA ATOM 23 N LIG 1 -2.198 2.484 2.696 0.00 0.00 -0.108 NA ENDBRANCH 9 18 BRANCH 1 24 ATOM 24 C LIG 1 2.046 -1.332 -1.351 0.00 0.00 +0.160 C BRANCH 24 26 ATOM 25 C LIG 1 3.130 0.967 -1.548 0.00 0.00 +0.112 A ATOM 26 N LIG 1 2.959 -0.271 -0.958 0.00 0.00 -0.308 N ATOM 27 C LIG 1 3.853 -0.364 0.078 0.00 0.00 +0.161 A ATOM 28 C LIG 1 4.516 0.855 0.092 0.00 0.00 +0.111 A ATOM 29 C LIG 1 5.500 1.066 1.070 0.00 0.00 -0.020 A ATOM 30 C LIG 1 5.721 -0.002 1.957 0.00 0.00 +0.028 A ATOM 31 C LIG 1 4.988 -1.189 1.841 0.00 0.00 +0.041 A ATOM 32 C LIG 1 5.253 -2.308 2.808 0.00 0.00 +0.065 C ATOM 33 C LIG 1 6.288 2.332 1.195 0.00 0.00 +0.046 C ATOM 34 N LIG 1 4.035 -1.412 0.904 0.00 0.00 -0.233 NA ATOM 35 N LIG 1 4.056 1.666 -0.916 0.00 0.00 -0.230 NA BRANCH 25 37 ATOM 36 C LIG 1 3.095 1.098 -4.035 0.00 0.00 +0.012 C ATOM 37 C LIG 1 2.378 1.454 -2.743 0.00 0.00 +0.071 C ENDBRANCH 25 37 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 4