REMARK Name = BDB009757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.942 0.315 -0.320 0.00 0.00 -0.285 N ATOM 2 C LIG 1 -0.141 -0.583 0.161 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.556 0.054 0.239 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.455 1.498 0.727 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.544 2.335 -0.180 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -0.440 3.749 0.431 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.851 1.704 -0.215 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.840 2.437 -0.278 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.216 -1.869 -0.669 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.369 -1.831 -2.065 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.451 -3.013 -2.804 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.384 -4.242 -2.154 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -0.483 -5.698 -3.066 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.238 -4.301 -0.770 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.155 -3.119 -0.030 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.520 -0.741 1.117 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.679 -1.293 0.546 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.564 -2.038 1.326 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.974 -2.715 0.608 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.316 -2.239 2.681 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.174 -1.692 3.261 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -2.282 -0.947 2.486 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 2.321 -0.263 -0.303 0.00 0.00 +0.127 C BRANCH 23 24 ATOM 24 C LIG 1 3.138 0.167 0.914 0.00 0.00 +0.080 A ATOM 25 N LIG 1 2.590 -0.104 2.139 0.00 0.00 -0.255 NA ATOM 26 C LIG 1 3.325 0.253 3.216 0.00 0.00 +0.131 A ATOM 27 C LIG 1 4.569 0.843 3.102 0.00 0.00 +0.130 A ATOM 28 N LIG 1 5.134 1.107 1.906 0.00 0.00 -0.260 NA ATOM 29 C LIG 1 4.391 0.766 0.823 0.00 0.00 +0.136 A ENDBRANCH 23 24 BRANCH 23 31 ATOM 30 C LIG 1 3.117 1.023 -2.464 0.00 0.00 +0.006 C ATOM 31 C LIG 1 3.003 -0.285 -1.696 0.00 0.00 +0.025 C ENDBRANCH 23 31 ENDBRANCH 1 23 BRANCH 5 32 ATOM 32 C LIG 1 -0.995 2.441 -1.653 0.00 0.00 +0.136 C BRANCH 32 33 ATOM 33 C LIG 1 -2.409 2.927 -1.824 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -3.384 2.194 -1.764 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -2.510 4.256 -2.035 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -1.659 4.733 -2.061 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8