REMARK Name = BDB027154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.759 -1.634 -0.185 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.229 -2.980 0.287 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.275 -3.142 1.588 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.758 -4.379 2.014 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.735 -5.473 1.151 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.220 -5.333 -0.136 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.264 -4.096 -0.565 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 2.024 -1.311 0.525 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 2.114 -0.291 0.559 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 3.200 -1.899 -0.117 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 4.496 -1.527 0.623 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 5.519 2.658 0.257 0.00 0.00 +0.037 A ATOM 13 C LIG 1 5.839 1.764 -0.772 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.509 0.410 -0.652 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.864 -0.066 0.498 0.00 0.00 -0.046 A ATOM 16 C LIG 1 4.556 0.833 1.528 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.886 2.185 1.411 0.00 0.00 +0.013 A BRANCH 12 21 ATOM 18 N LIG 1 5.994 4.649 -1.071 0.00 0.00 -0.325 N ATOM 19 H LIG 1 5.613 4.199 -1.890 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 6.078 5.658 -1.096 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 5.852 4.105 0.176 0.00 0.00 +0.242 C ATOM 22 O LIG 1 5.962 4.800 1.178 0.00 0.00 -0.270 OA ENDBRANCH 12 21 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 23 ATOM 23 C LIG 1 -0.262 -0.474 0.034 0.00 0.00 +0.186 C ATOM 24 O LIG 1 0.046 0.506 0.721 0.00 0.00 -0.290 OA BRANCH 23 25 ATOM 25 C LIG 1 -1.569 -0.518 -0.644 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -2.679 0.370 -0.431 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -3.714 -0.029 -1.275 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -4.959 0.620 -1.324 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -5.166 1.725 -0.478 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -4.140 2.143 0.379 0.00 0.00 +0.027 A ATOM 31 N LIG 1 -3.259 -1.115 -1.983 0.00 0.00 -0.360 N ATOM 32 H LIG 1 -3.802 -1.620 -2.671 0.00 0.00 +0.165 HD ATOM 33 C LIG 1 -2.906 1.477 0.410 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.970 -1.409 -1.624 0.00 0.00 +0.095 A BRANCH 29 35 ATOM 35 N LIG 1 -6.415 2.417 -0.494 0.00 0.00 -0.306 N ATOM 36 C LIG 1 -7.520 2.136 -1.271 0.00 0.00 +0.204 A ATOM 37 N LIG 1 -8.522 2.960 -1.056 0.00 0.00 -0.244 NA ATOM 38 C LIG 1 -8.069 3.821 -0.100 0.00 0.00 +0.130 A ATOM 39 C LIG 1 -6.780 3.511 0.264 0.00 0.00 +0.112 A ENDBRANCH 29 35 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9