REMARK Name = BDB055923 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.379 0.299 -0.208 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.595 -0.792 0.160 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.207 -0.769 -0.032 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.424 0.331 -0.621 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.363 1.437 -0.958 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.750 1.417 -0.766 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.249 -1.644 1.057 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.598 -0.601 0.521 0.00 0.00 +0.248 C ATOM 9 N LIG 1 3.781 0.355 -0.056 0.00 0.00 -0.281 N ATOM 10 H LIG 1 4.214 1.220 -0.350 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 6.052 -0.283 0.503 0.00 0.00 +0.042 A ATOM 12 C LIG 1 6.838 -0.698 1.585 0.00 0.00 +0.051 A ATOM 13 C LIG 1 8.201 -0.421 1.589 0.00 0.00 +0.127 A ATOM 14 F LIG 1 8.948 -0.809 2.630 0.00 0.00 -0.205 F ATOM 15 C LIG 1 8.800 0.254 0.534 0.00 0.00 +0.076 A ATOM 16 C LIG 1 8.015 0.644 -0.542 0.00 0.00 +0.127 A ATOM 17 F LIG 1 8.583 1.283 -1.573 0.00 0.00 -0.205 F ATOM 18 C LIG 1 6.649 0.382 -0.575 0.00 0.00 +0.051 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 N LIG 1 -1.827 0.397 -0.775 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -2.108 1.204 -1.330 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.730 -0.674 -1.033 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -4.072 -0.635 -0.582 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -4.905 -1.645 -1.096 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -6.267 -1.630 -0.826 0.00 0.00 -0.306 N ATOM 25 H LIG 1 -6.821 -2.353 -1.262 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.913 -0.674 -0.100 0.00 0.00 +0.258 A ATOM 27 C LIG 1 -6.070 0.360 0.551 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -6.702 1.287 1.397 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -5.947 2.219 2.098 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.564 2.206 1.969 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.939 1.282 1.120 0.00 0.00 +0.009 A ATOM 32 O LIG 1 -8.133 -0.680 0.028 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -4.519 -2.651 -1.910 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -3.232 -2.666 -2.284 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -4.672 0.355 0.355 0.00 0.00 -0.000 A ATOM 36 C LIG 1 -2.322 -1.704 -1.899 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 4