REMARK Name = BDB064286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.484 -3.764 1.581 0.00 0.00 -0.268 N ATOM 2 H LIG 1 1.153 -4.322 2.354 0.00 0.00 +0.156 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 4.335 -1.543 1.714 0.00 0.00 +0.111 A ATOM 4 C LIG 1 4.835 -1.838 2.966 0.00 0.00 +0.167 A ATOM 5 F LIG 1 5.906 -1.232 3.495 0.00 0.00 -0.202 F ATOM 6 C LIG 1 4.164 -2.796 3.684 0.00 0.00 +0.155 A ATOM 7 N LIG 1 3.064 -3.435 3.237 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 2.614 -3.080 2.021 0.00 0.00 +0.221 A ATOM 9 N LIG 1 3.230 -2.174 1.245 0.00 0.00 -0.211 NA BRANCH 3 17 ATOM 10 C LIG 1 8.868 3.287 -2.178 0.00 0.00 +0.073 C ATOM 11 C LIG 1 7.887 2.392 -1.508 0.00 0.00 +0.076 A ATOM 12 S LIG 1 8.401 1.352 -0.243 0.00 0.00 -0.072 S ATOM 13 C LIG 1 6.790 0.763 -0.074 0.00 0.00 +0.040 A ATOM 14 C LIG 1 5.974 1.405 -1.004 0.00 0.00 +0.079 A ATOM 15 C LIG 1 4.611 1.068 -1.044 0.00 0.00 +0.029 A ATOM 16 C LIG 1 4.106 0.109 -0.153 0.00 0.00 +0.012 A ATOM 17 C LIG 1 4.920 -0.538 0.795 0.00 0.00 +0.005 A ATOM 18 C LIG 1 6.290 -0.203 0.821 0.00 0.00 +0.027 A ATOM 19 N LIG 1 6.610 2.331 -1.814 0.00 0.00 -0.244 NA ENDBRANCH 3 17 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 0.442 -3.251 0.794 0.00 0.00 +0.125 A ATOM 21 N LIG 1 0.387 -1.942 0.464 0.00 0.00 -0.239 NA ATOM 22 C LIG 1 -0.639 -1.515 -0.313 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -1.661 -2.336 -0.755 0.00 0.00 +0.055 A ATOM 24 C LIG 1 -1.594 -3.688 -0.438 0.00 0.00 +0.018 A ATOM 25 C LIG 1 -0.534 -4.146 0.346 0.00 0.00 +0.044 A BRANCH 23 26 ATOM 26 C LIG 1 -2.755 -1.825 -1.601 0.00 0.00 +0.248 C ATOM 27 N LIG 1 -3.453 -0.692 -1.197 0.00 0.00 -0.295 N ATOM 28 C LIG 1 -3.474 -0.173 0.175 0.00 0.00 +0.123 C ATOM 29 C LIG 1 -4.798 0.539 0.518 0.00 0.00 +0.103 C ATOM 30 N LIG 1 -5.085 1.665 -0.386 0.00 0.00 -0.297 NA ATOM 31 C LIG 1 -4.821 1.313 -1.804 0.00 0.00 +0.103 C ATOM 32 C LIG 1 -4.481 -0.164 -2.088 0.00 0.00 +0.123 C ATOM 33 O LIG 1 -3.010 -2.440 -2.634 0.00 0.00 -0.270 OA BRANCH 30 34 ATOM 34 C LIG 1 -6.402 2.305 -0.186 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -6.772 2.508 1.293 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -6.431 3.685 -0.864 0.00 0.00 +0.024 C ENDBRANCH 30 34 ENDBRANCH 23 26 ENDBRANCH 1 20 TORSDOF 5