REMARK Name = BDB001435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.182 -0.376 0.943 0.00 0.00 -0.269 N ATOM 2 C LIG 1 0.210 0.921 0.462 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -0.619 2.060 0.529 0.00 0.00 +0.059 A ATOM 4 C LIG 1 -0.181 3.303 0.030 0.00 0.00 +0.029 A ATOM 5 C LIG 1 1.076 3.422 -0.551 0.00 0.00 +0.014 A ATOM 6 C LIG 1 1.914 2.319 -0.616 0.00 0.00 +0.016 A ATOM 7 I LIG 1 1.706 5.249 -1.305 0.00 0.00 -0.044 I ATOM 8 C LIG 1 -1.921 2.090 1.238 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -2.121 3.021 2.016 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -2.858 1.088 1.005 0.00 0.00 -0.277 N ATOM 11 C LIG 1 -2.546 -0.049 0.135 0.00 0.00 +0.193 C ATOM 12 C LIG 1 1.487 1.089 -0.104 0.00 0.00 +0.025 A ATOM 13 C LIG 1 -1.489 -0.866 0.887 0.00 0.00 +0.245 C ATOM 14 O LIG 1 -1.824 -1.922 1.441 0.00 0.00 -0.273 OA ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -2.282 0.281 -1.335 0.00 0.00 -0.018 A ATOM 16 C LIG 1 -2.908 1.385 -1.942 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -2.691 1.683 -3.290 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.867 0.865 -4.055 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -1.595 1.231 -5.713 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -1.270 -0.257 -3.487 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -1.487 -0.555 -2.139 0.00 0.00 +0.007 A ENDBRANCH 11 15 BRANCH 1 22 ATOM 22 C LIG 1 0.844 -1.273 1.494 0.00 0.00 +0.114 C BRANCH 22 23 ATOM 23 C LIG 1 1.264 -2.359 0.497 0.00 0.00 +0.021 C BRANCH 23 24 ATOM 24 C LIG 1 2.389 -3.273 1.004 0.00 0.00 +0.017 C BRANCH 24 25 ATOM 25 C LIG 1 3.647 -2.555 1.516 0.00 0.00 +0.084 C BRANCH 25 30 ATOM 26 C LIG 1 6.070 1.285 -1.903 0.00 0.00 +0.105 C ATOM 27 N LIG 1 5.289 0.359 -1.092 0.00 0.00 -0.303 NA ATOM 28 C LIG 1 5.531 -1.040 -1.469 0.00 0.00 +0.099 C ATOM 29 C LIG 1 4.651 -2.038 -0.665 0.00 0.00 +0.100 C ATOM 30 N LIG 1 4.129 -1.510 0.613 0.00 0.00 -0.300 NA ATOM 31 C LIG 1 5.137 -0.648 1.247 0.00 0.00 +0.100 C ATOM 32 C LIG 1 5.555 0.548 0.347 0.00 0.00 +0.099 C ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 BRANCH 10 33 ATOM 33 C LIG 1 -3.879 0.904 2.043 0.00 0.00 +0.146 C BRANCH 33 34 ATOM 34 C LIG 1 -5.201 0.376 1.533 0.00 0.00 -0.009 A ATOM 35 C LIG 1 -5.606 -0.964 1.702 0.00 0.00 +0.031 A ATOM 36 C LIG 1 -6.900 -1.330 1.304 0.00 0.00 +0.043 A ATOM 37 C LIG 1 -7.732 -0.422 0.649 0.00 0.00 +0.043 A ATOM 38 CL LIG 1 -9.299 -0.915 0.134 0.00 0.00 -0.083 Cl ATOM 39 C LIG 1 -7.306 0.879 0.411 0.00 0.00 +0.020 A ATOM 40 C LIG 1 -6.050 1.278 0.859 0.00 0.00 +0.008 A BRANCH 35 41 ATOM 41 N LIG 1 -4.840 -1.892 2.422 0.00 0.00 -0.358 N ATOM 42 H LIG 1 -5.115 -2.859 2.279 0.00 0.00 +0.142 HD ATOM 43 H LIG 1 -3.828 -1.803 2.323 0.00 0.00 +0.142 HD ENDBRANCH 35 41 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 9