REMARK Name = BDB053386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.149 0.745 -0.554 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.356 1.289 -1.004 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -1.568 1.488 -2.203 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.384 1.711 0.053 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -3.821 1.727 -0.527 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -4.765 2.644 0.285 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -4.202 2.995 1.659 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -2.906 3.657 1.572 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -2.454 3.668 2.485 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -2.007 3.112 0.551 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -4.369 0.312 -0.698 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -4.558 -0.224 -1.917 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -5.081 -1.608 -2.087 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -5.235 -2.058 -3.219 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -5.357 -2.298 -0.908 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -5.874 -3.654 -0.984 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -5.159 -1.733 0.337 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -4.688 -0.488 0.470 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 0.070 0.275 0.795 0.00 0.00 +0.077 C ATOM 20 C LIG 1 0.708 -1.063 1.094 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -0.743 -0.857 1.380 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 0.923 0.563 -1.541 0.00 0.00 +0.144 C BRANCH 22 25 ATOM 23 C LIG 1 4.564 0.347 -0.389 0.00 0.00 +0.029 A ATOM 24 C LIG 1 3.287 0.028 -0.860 0.00 0.00 +0.029 A ATOM 25 C LIG 1 2.292 1.010 -1.066 0.00 0.00 -0.009 A ATOM 26 C LIG 1 2.616 2.359 -0.840 0.00 0.00 +0.064 A ATOM 27 CL LIG 1 1.435 3.599 -1.115 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 3.906 2.696 -0.409 0.00 0.00 +0.061 A ATOM 29 CL LIG 1 4.394 4.332 -0.118 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 4.865 1.698 -0.199 0.00 0.00 +0.044 A BRANCH 23 31 ATOM 31 N LIG 1 5.587 -0.591 -0.239 0.00 0.00 -0.342 N ATOM 32 H LIG 1 6.282 -0.295 0.451 0.00 0.00 +0.146 HD BRANCH 31 33 ATOM 33 C LIG 1 5.264 -2.008 -0.046 0.00 0.00 +0.129 C BRANCH 33 34 ATOM 34 C LIG 1 6.550 -2.790 0.256 0.00 0.00 +0.178 C BRANCH 34 36 ATOM 35 C LIG 1 8.325 -2.982 1.799 0.00 0.00 +0.194 C ATOM 36 O LIG 1 7.113 -2.308 1.484 0.00 0.00 -0.381 OA ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 23 31 ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 9