REMARK Name = BDB027077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.870 1.040 0.518 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.352 2.485 0.498 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.047 3.306 -0.601 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.475 4.634 -0.638 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.202 5.163 0.426 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.493 4.369 1.532 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.066 3.040 1.573 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 0.343 0.951 1.373 0.00 0.00 -0.300 NA ATOM 9 H LIG 1 0.022 0.656 2.302 0.00 0.00 +0.123 HD BRANCH 8 11 ATOM 10 C LIG 1 0.918 -1.413 0.755 0.00 0.00 +0.024 C ATOM 11 C LIG 1 1.400 0.033 0.913 0.00 0.00 +0.056 C BRANCH 11 12 ATOM 12 C LIG 1 2.097 0.570 -0.361 0.00 0.00 +0.053 C BRANCH 12 13 ATOM 13 C LIG 1 3.410 -0.117 -0.671 0.00 0.00 -0.046 A ATOM 14 C LIG 1 3.495 -1.058 -1.705 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.708 -1.693 -1.984 0.00 0.00 +0.013 A ATOM 16 C LIG 1 5.850 -1.399 -1.229 0.00 0.00 +0.037 A ATOM 17 C LIG 1 5.774 -0.448 -0.205 0.00 0.00 +0.013 A ATOM 18 C LIG 1 4.559 0.185 0.072 0.00 0.00 +0.004 A BRANCH 16 19 ATOM 19 C LIG 1 7.117 -2.102 -1.565 0.00 0.00 +0.242 C ATOM 20 O LIG 1 7.292 -2.630 -2.656 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 8.076 -2.176 -0.593 0.00 0.00 -0.325 N ATOM 22 H LIG 1 8.867 -2.772 -0.805 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 7.863 -2.021 0.381 0.00 0.00 +0.145 HD ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -1.969 0.068 1.036 0.00 0.00 +0.186 C ATOM 25 O LIG 1 -1.921 -0.359 2.195 0.00 0.00 -0.290 OA BRANCH 24 26 ATOM 26 C LIG 1 -3.052 -0.333 0.126 0.00 0.00 +0.044 A ATOM 27 C LIG 1 -4.098 -1.283 0.391 0.00 0.00 +0.010 A ATOM 28 C LIG 1 -4.905 -1.353 -0.745 0.00 0.00 +0.047 A ATOM 29 C LIG 1 -6.026 -2.189 -0.833 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -6.333 -2.982 0.276 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -5.550 -2.938 1.425 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -4.383 -0.480 -1.667 0.00 0.00 -0.360 N ATOM 33 H LIG 1 -4.774 -0.316 -2.585 0.00 0.00 +0.165 HD ATOM 34 C LIG 1 -4.434 -2.096 1.495 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -3.268 0.134 -1.160 0.00 0.00 +0.095 A ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8