REMARK Name = BDB055689 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.287 0.882 -0.189 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.732 1.032 0.216 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -2.225 2.267 -0.218 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.518 2.665 0.081 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -4.346 1.806 0.824 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -3.826 0.572 1.276 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.171 3.056 -0.933 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.516 0.185 0.983 0.00 0.00 +0.006 A ATOM 9 C LIG 1 -0.130 1.977 -1.262 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -0.573 -1.314 -1.502 0.00 0.00 +0.111 A ATOM 11 N LIG 1 0.098 -0.447 -0.639 0.00 0.00 -0.316 N ATOM 12 C LIG 1 1.260 -1.087 -0.262 0.00 0.00 +0.135 A ATOM 13 C LIG 1 1.167 -2.325 -0.836 0.00 0.00 +0.096 A ATOM 14 C LIG 1 2.179 -3.287 -0.631 0.00 0.00 +0.048 A ATOM 15 C LIG 1 3.237 -2.962 0.134 0.00 0.00 +0.091 A ATOM 16 N LIG 1 3.361 -1.696 0.719 0.00 0.00 -0.313 N ATOM 17 C LIG 1 2.385 -0.679 0.546 0.00 0.00 +0.277 A ATOM 18 O LIG 1 2.494 0.443 1.033 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 0.055 -2.480 -1.584 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 -1.845 -1.581 -3.642 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -1.848 -1.008 -2.228 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 4.541 -1.392 1.530 0.00 0.00 +0.128 C BRANCH 22 23 ATOM 23 C LIG 1 5.612 -0.576 0.769 0.00 0.00 +0.009 C ATOM 24 C LIG 1 6.658 -0.009 1.745 0.00 0.00 +0.005 C ATOM 25 C LIG 1 7.603 -1.078 2.295 0.00 0.00 +0.000 C ATOM 26 C LIG 1 8.273 -1.869 1.176 0.00 0.00 +0.000 C ATOM 27 C LIG 1 7.254 -2.454 0.202 0.00 0.00 +0.000 C ATOM 28 C LIG 1 6.314 -1.378 -0.341 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 C LIG 1 -5.734 2.188 1.131 0.00 0.00 -0.007 A ATOM 30 C LIG 1 -6.745 2.300 0.144 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -8.028 2.737 0.529 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -8.325 3.034 1.859 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.342 2.905 2.832 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.060 2.490 2.471 0.00 0.00 +0.009 A BRANCH 30 35 ATOM 35 C LIG 1 -6.547 1.971 -1.270 0.00 0.00 +0.180 A ATOM 36 N LIG 1 -5.731 0.984 -1.759 0.00 0.00 -0.239 N ATOM 37 H LIG 1 -5.101 0.362 -1.271 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.828 0.910 -3.093 0.00 0.00 -0.046 NA ATOM 39 N LIG 1 -6.702 1.849 -3.425 0.00 0.00 -0.023 NA ATOM 40 N LIG 1 -7.167 2.503 -2.310 0.00 0.00 -0.108 NA ENDBRANCH 30 35 ENDBRANCH 5 29 TORSDOF 6