REMARK Name = BDB054392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.718 -1.950 -0.481 0.00 0.00 +0.044 A ATOM 2 C LIG 1 2.377 -1.764 -0.063 0.00 0.00 -0.006 A ATOM 3 C LIG 1 2.012 -2.256 1.214 0.00 0.00 -0.014 A ATOM 4 C LIG 1 0.697 -2.083 1.677 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.264 -1.454 0.885 0.00 0.00 +0.129 A ATOM 6 C LIG 1 0.082 -0.957 -0.368 0.00 0.00 +0.047 A ATOM 7 C LIG 1 2.965 -2.916 2.010 0.00 0.00 +0.008 A ATOM 8 C LIG 1 4.271 -3.111 1.560 0.00 0.00 +0.001 A ATOM 9 C LIG 1 1.386 -1.121 -0.840 0.00 0.00 +0.013 A ATOM 10 C LIG 1 4.650 -2.632 0.312 0.00 0.00 +0.013 A ENDROOT BRANCH 1 13 ATOM 11 N LIG 1 4.409 -0.103 -1.945 0.00 0.00 -0.309 N ATOM 12 H LIG 1 4.872 0.115 -2.820 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 4.204 -1.450 -1.782 0.00 0.00 +0.245 C ATOM 14 O LIG 1 4.434 -2.243 -2.688 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 C LIG 1 4.486 0.916 -0.904 0.00 0.00 +0.132 C BRANCH 15 16 ATOM 16 C LIG 1 5.907 1.058 -0.347 0.00 0.00 +0.178 C BRANCH 16 18 ATOM 17 C LIG 1 6.838 2.857 -1.601 0.00 0.00 +0.194 C ATOM 18 O LIG 1 6.838 1.457 -1.359 0.00 0.00 -0.381 OA ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 1 13 BRANCH 5 19 ATOM 19 O LIG 1 -1.517 -1.307 1.439 0.00 0.00 -0.455 OA BRANCH 19 20 ATOM 20 C LIG 1 -2.599 -1.500 0.605 0.00 0.00 +0.139 A ATOM 21 C LIG 1 -3.556 -0.474 0.482 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -4.662 -0.731 -0.344 0.00 0.00 +0.078 A ATOM 23 C LIG 1 -5.625 0.259 -0.499 0.00 0.00 +0.074 A ATOM 24 C LIG 1 -5.536 1.508 0.138 0.00 0.00 +0.134 A ATOM 25 C LIG 1 -4.431 1.770 0.967 0.00 0.00 +0.079 A ATOM 26 N LIG 1 -4.827 -1.898 -0.991 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 -3.895 -2.862 -0.829 0.00 0.00 +0.115 A ATOM 28 C LIG 1 -3.452 0.774 1.129 0.00 0.00 +0.030 A ATOM 29 C LIG 1 -2.774 -2.719 -0.042 0.00 0.00 +0.066 A BRANCH 25 30 ATOM 30 C LIG 1 -4.194 3.050 1.707 0.00 0.00 +0.245 C ATOM 31 O LIG 1 -3.168 3.238 2.353 0.00 0.00 -0.270 OA ATOM 32 N LIG 1 -5.151 4.019 1.655 0.00 0.00 -0.325 N ATOM 33 H LIG 1 -4.980 4.893 2.132 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 -5.988 3.906 1.096 0.00 0.00 +0.145 HD ENDBRANCH 25 30 BRANCH 24 35 ATOM 35 O LIG 1 -6.478 2.496 -0.011 0.00 0.00 -0.494 OA ATOM 36 C LIG 1 -7.589 2.238 -0.864 0.00 0.00 +0.277 C ENDBRANCH 24 35 ENDBRANCH 19 20 ENDBRANCH 5 19 TORSDOF 8