REMARK Name = BDB005139 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.705 -0.388 0.545 0.00 0.00 +0.103 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.839 -0.370 2.017 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.768 -0.282 1.124 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.557 -0.489 1.553 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -0.792 -0.779 2.905 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.269 -0.866 3.803 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.577 -0.665 3.360 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 3.680 0.154 0.401 0.00 0.00 +0.248 C ATOM 9 N LIG 1 3.188 -0.190 1.647 0.00 0.00 -0.281 N ATOM 10 H LIG 1 3.860 -0.265 2.400 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 3.027 0.426 -0.600 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 7.959 0.408 0.096 0.00 0.00 +0.120 A ATOM 13 C LIG 1 7.381 -0.592 0.879 0.00 0.00 +0.046 A ATOM 14 C LIG 1 5.988 -0.688 0.987 0.00 0.00 +0.016 A ATOM 15 C LIG 1 5.166 0.224 0.314 0.00 0.00 +0.037 A ATOM 16 C LIG 1 5.743 1.214 -0.486 0.00 0.00 +0.016 A ATOM 17 C LIG 1 7.133 1.306 -0.587 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 10.185 -0.295 0.551 0.00 0.00 +0.277 C ATOM 19 O LIG 1 9.298 0.612 -0.090 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 -2.624 0.654 1.044 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -2.092 1.405 1.479 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.487 1.250 0.097 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -4.408 2.228 0.527 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.228 2.804 -0.463 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -6.147 3.794 -0.053 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -6.253 4.182 1.297 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -5.452 3.598 2.265 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -5.125 2.406 -1.751 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -4.232 1.454 -2.043 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -4.538 2.627 1.882 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -3.407 0.863 -1.182 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -7.070 4.498 -0.998 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -7.909 5.299 -0.599 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -6.962 4.235 -2.331 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -7.625 4.653 -2.966 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -6.332 3.510 -2.665 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -2.447 -1.733 0.392 0.00 0.00 +0.042 C BRANCH 37 38 ATOM 38 C LIG 1 -1.594 -2.901 -0.136 0.00 0.00 +0.086 C BRANCH 38 39 ATOM 39 N LIG 1 -1.564 -3.032 -1.597 0.00 0.00 -0.302 NA ATOM 40 C LIG 1 -0.910 -4.277 -2.012 0.00 0.00 +0.084 C ATOM 41 C LIG 1 -0.715 -4.072 -3.503 0.00 0.00 +0.017 C ATOM 42 C LIG 1 -0.530 -2.569 -3.664 0.00 0.00 +0.017 C ATOM 43 C LIG 1 -0.831 -1.975 -2.293 0.00 0.00 +0.084 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 10