REMARK Name = BDB022334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.417 -1.509 -0.297 0.00 0.00 -0.313 N ATOM 2 H LIG 1 -0.762 -2.468 -0.314 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.372 -0.583 -0.755 0.00 0.00 +0.032 A ATOM 4 C LIG 1 -2.718 -0.787 -0.414 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -3.742 0.111 -0.787 0.00 0.00 +0.021 A ATOM 6 C LIG 1 -5.159 -0.118 -0.387 0.00 0.00 +0.042 A ATOM 7 C LIG 1 -6.078 0.704 -0.912 0.00 0.00 +0.093 A ATOM 8 C LIG 1 -5.762 1.848 -1.790 0.00 0.00 +0.253 A ATOM 9 N LIG 1 -4.426 2.098 -2.047 0.00 0.00 -0.311 N ATOM 10 C LIG 1 -4.090 3.245 -2.875 0.00 0.00 +0.152 C ATOM 11 O LIG 1 -6.695 2.524 -2.222 0.00 0.00 -0.268 OA ATOM 12 C LIG 1 -3.401 1.228 -1.572 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -2.053 1.446 -1.898 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.054 0.558 -1.484 0.00 0.00 +0.025 A BRANCH 6 15 ATOM 15 N LIG 1 -5.416 -1.152 0.513 0.00 0.00 -0.340 N ATOM 16 H LIG 1 -4.683 -1.217 1.216 0.00 0.00 +0.146 HD BRANCH 15 17 ATOM 17 C LIG 1 -6.694 -1.620 1.053 0.00 0.00 +0.070 C ATOM 18 C LIG 1 -7.545 -2.261 -0.039 0.00 0.00 +0.028 C BRANCH 17 19 ATOM 19 C LIG 1 -7.355 -0.544 1.878 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -8.699 0.073 1.560 0.00 0.00 +0.005 C ATOM 21 C LIG 1 -8.568 -0.872 2.719 0.00 0.00 +0.005 C ENDBRANCH 17 19 ENDBRANCH 15 17 ENDBRANCH 6 15 ENDBRANCH 1 3 BRANCH 1 27 ATOM 22 C LIG 1 3.030 -0.196 0.253 0.00 0.00 +0.127 A ATOM 23 N LIG 1 3.796 -1.302 0.098 0.00 0.00 -0.249 NA ATOM 24 C LIG 1 3.154 -2.464 -0.165 0.00 0.00 +0.133 A ATOM 25 C LIG 1 1.779 -2.579 -0.297 0.00 0.00 +0.080 A ATOM 26 CL LIG 1 1.085 -4.122 -0.633 0.00 0.00 -0.080 Cl ATOM 27 C LIG 1 0.986 -1.432 -0.153 0.00 0.00 +0.054 A ATOM 28 C LIG 1 1.638 -0.229 0.137 0.00 0.00 +0.057 A BRANCH 22 31 ATOM 29 C LIG 1 6.080 0.192 0.908 0.00 0.00 +0.079 C ATOM 30 N LIG 1 5.048 1.240 0.823 0.00 0.00 -0.293 N ATOM 31 C LIG 1 3.685 1.127 0.556 0.00 0.00 +0.265 C ATOM 32 O LIG 1 2.963 2.130 0.574 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 5.573 2.532 1.240 0.00 0.00 +0.108 C ATOM 34 C LIG 1 7.069 2.327 1.397 0.00 0.00 +0.021 C ATOM 35 C LIG 1 7.168 0.855 1.768 0.00 0.00 +0.024 C BRANCH 29 36 ATOM 36 C LIG 1 6.586 -0.196 -0.497 0.00 0.00 +0.050 C BRANCH 36 37 ATOM 37 C LIG 1 7.225 -1.584 -0.531 0.00 0.00 +0.161 C BRANCH 37 39 ATOM 38 C LIG 1 9.567 -1.207 -0.426 0.00 0.00 +0.193 C ATOM 39 O LIG 1 8.408 -1.667 0.259 0.00 0.00 -0.383 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 29 36 ENDBRANCH 22 31 ENDBRANCH 1 27 TORSDOF 9