REMARK Name = BDB007202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.732 1.095 0.044 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -5.072 1.135 1.405 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -4.171 0.608 2.335 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -2.939 0.081 1.915 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -1.950 -0.487 2.892 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -0.497 -0.259 2.490 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -0.221 -0.189 1.111 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -1.277 -0.572 0.146 0.00 0.00 +0.142 C ATOM 9 O LIG 1 0.352 -0.219 3.384 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -2.605 0.053 0.558 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -3.500 0.588 -0.375 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.387 -2.087 -0.098 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -0.624 -3.032 0.615 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.742 -4.402 0.355 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.620 -4.849 -0.627 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -1.764 -6.533 -0.947 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.377 -3.938 -1.355 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -2.257 -2.570 -1.095 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 1.099 0.130 0.616 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.531 -0.281 -0.655 0.00 0.00 +0.025 A ATOM 21 C LIG 1 2.808 0.045 -1.138 0.00 0.00 +0.025 A ATOM 22 C LIG 1 3.701 0.791 -0.367 0.00 0.00 +0.030 A ATOM 23 C LIG 1 3.270 1.220 0.890 0.00 0.00 +0.025 A ATOM 24 C LIG 1 1.996 0.893 1.375 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 4.984 1.169 -0.805 0.00 0.00 -0.333 N ATOM 26 C LIG 1 4.908 2.432 -1.552 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 5.788 0.110 -1.444 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 7.120 -0.122 -0.704 0.00 0.00 +0.020 C ATOM 29 C LIG 1 7.991 1.135 -0.613 0.00 0.00 +0.086 C ATOM 30 N LIG 1 9.338 0.857 -0.095 0.00 0.00 -0.316 NA ATOM 31 H LIG 1 9.704 1.708 0.332 0.00 0.00 +0.122 HD ATOM 32 C LIG 1 9.388 -0.239 0.875 0.00 0.00 +0.081 C ATOM 33 C LIG 1 8.083 -0.439 1.635 0.00 0.00 +0.015 C ATOM 34 C LIG 1 6.919 -0.743 0.691 0.00 0.00 +0.007 C ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 35 ATOM 35 O LIG 1 -6.279 1.701 1.720 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 -6.570 1.901 3.097 0.00 0.00 +0.277 C ENDBRANCH 2 35 BRANCH 1 37 ATOM 37 O LIG 1 -5.534 1.613 -0.943 0.00 0.00 -0.485 OA BRANCH 37 38 ATOM 38 C LIG 1 -6.756 0.869 -1.121 0.00 0.00 +0.170 C ATOM 39 C LIG 1 -6.598 0.023 -2.385 0.00 0.00 +0.052 C BRANCH 38 41 ATOM 40 C LIG 1 -9.273 1.267 -1.324 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -7.891 1.895 -1.251 0.00 0.00 +0.041 C ENDBRANCH 38 41 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9