REMARK Name = BDB005151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.600 -2.387 -0.880 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -1.719 -3.074 0.485 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.178 -1.661 -1.010 0.00 0.00 +0.034 A ATOM 4 C LIG 1 0.854 -1.724 -0.569 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -0.149 -2.335 -1.347 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.205 -2.883 -2.589 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.526 -2.836 -3.032 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.507 -2.231 -2.245 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.113 -0.342 0.901 0.00 0.00 +0.248 C ATOM 10 N LIG 1 3.223 -1.059 -0.277 0.00 0.00 -0.281 N ATOM 11 H LIG 1 4.135 -1.091 -0.714 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.081 -0.038 1.488 0.00 0.00 -0.270 OA BRANCH 9 17 ATOM 13 C LIG 1 6.811 1.074 2.577 0.00 0.00 +0.155 A ATOM 14 C LIG 1 5.639 1.837 2.636 0.00 0.00 +0.165 A ATOM 15 F LIG 1 5.652 3.043 3.224 0.00 0.00 -0.202 F ATOM 16 C LIG 1 4.442 1.377 2.097 0.00 0.00 +0.055 A ATOM 17 C LIG 1 4.406 0.131 1.468 0.00 0.00 +0.040 A ATOM 18 C LIG 1 5.567 -0.653 1.413 0.00 0.00 +0.017 A ATOM 19 C LIG 1 6.766 -0.180 1.963 0.00 0.00 +0.049 A BRANCH 13 21 ATOM 20 C LIG 1 9.121 0.885 3.135 0.00 0.00 +0.277 C ATOM 21 O LIG 1 7.919 1.643 3.143 0.00 0.00 -0.492 OA ENDBRANCH 13 21 ENDBRANCH 9 17 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 N LIG 1 -2.099 -1.011 -0.834 0.00 0.00 -0.322 N ATOM 23 H LIG 1 -1.680 -0.492 -0.069 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.489 -0.805 -0.859 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -3.997 0.511 -0.816 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -5.398 0.649 -0.840 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -5.925 1.956 -0.785 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.084 3.086 -0.716 0.00 0.00 +0.018 A ATOM 29 C LIG 1 -3.701 2.949 -0.696 0.00 0.00 -0.049 A ATOM 30 C LIG 1 -2.807 4.152 -0.672 0.00 0.00 +0.044 C ATOM 31 N LIG 1 -6.190 -0.444 -0.919 0.00 0.00 -0.235 NA ATOM 32 C LIG 1 -5.600 -1.642 -0.989 0.00 0.00 +0.223 A ATOM 33 C LIG 1 -3.168 1.663 -0.763 0.00 0.00 +0.016 A ATOM 34 N LIG 1 -4.290 -1.875 -0.968 0.00 0.00 -0.220 NA BRANCH 27 35 ATOM 35 C LIG 1 -7.394 2.250 -0.801 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -7.821 3.399 -0.754 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -8.266 1.205 -0.868 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -9.258 1.393 -0.884 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -7.929 0.248 -0.913 0.00 0.00 +0.145 HD ENDBRANCH 27 35 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 7