REMARK Name = BDB005270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.768 0.494 0.784 0.00 0.00 +0.161 C ATOM 2 N LIG 1 -2.339 1.774 0.257 0.00 0.00 -0.253 N ATOM 3 C LIG 1 -1.355 2.610 -0.349 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -1.494 3.691 -0.898 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -0.112 1.904 -0.156 0.00 0.00 +0.150 A ATOM 6 N LIG 1 1.202 2.071 -0.422 0.00 0.00 -0.222 NA ATOM 7 C LIG 1 1.788 0.959 0.022 0.00 0.00 +0.149 A ATOM 8 N LIG 1 0.861 0.119 0.648 0.00 0.00 -0.322 N ATOM 9 C LIG 1 -0.342 0.729 0.478 0.00 0.00 +0.077 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -3.742 2.013 0.158 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.661 1.677 1.177 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.266 1.214 2.551 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.043 1.842 0.943 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.514 2.376 -0.253 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.607 2.759 -1.230 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.180 3.426 -2.709 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.239 2.586 -1.028 0.00 0.00 +0.043 A ENDBRANCH 2 10 BRANCH 1 21 ATOM 18 C LIG 1 -3.252 -3.088 -1.113 0.00 0.00 +0.126 A ATOM 19 C LIG 1 -2.865 -2.016 -1.910 0.00 0.00 +0.042 A ATOM 20 C LIG 1 -2.389 -0.853 -1.301 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -2.304 -0.755 0.102 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -2.696 -1.862 0.880 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -3.172 -3.026 0.275 0.00 0.00 +0.042 A BRANCH 18 25 ATOM 24 C LIG 1 -4.117 -5.230 -2.216 0.00 0.00 +0.135 C ATOM 25 N LIG 1 -3.722 -4.247 -1.714 0.00 0.00 -0.350 NA ENDBRANCH 18 25 ENDBRANCH 1 21 BRANCH 7 26 ATOM 26 C LIG 1 3.213 0.712 -0.113 0.00 0.00 +0.097 A ATOM 27 C LIG 1 3.775 -0.159 -1.024 0.00 0.00 +0.230 A ATOM 28 N LIG 1 5.102 -0.385 -1.130 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 5.902 0.311 -0.316 0.00 0.00 +0.218 A ATOM 30 N LIG 1 5.464 1.214 0.571 0.00 0.00 -0.222 NA ATOM 31 C LIG 1 4.130 1.407 0.640 0.00 0.00 +0.131 A BRANCH 29 32 ATOM 32 N LIG 1 7.258 0.043 -0.437 0.00 0.00 -0.316 N ATOM 33 H LIG 1 7.377 -0.407 -1.338 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 8.115 1.185 -0.203 0.00 0.00 +0.128 C ENDBRANCH 29 32 BRANCH 27 35 ATOM 35 O LIG 1 2.915 -0.847 -1.865 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 3.584 -1.618 -2.857 0.00 0.00 +0.279 C ENDBRANCH 27 35 ENDBRANCH 7 26 BRANCH 8 37 ATOM 37 C LIG 1 1.067 -1.113 1.402 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.286 -2.335 0.514 0.00 0.00 +0.030 C ATOM 39 C LIG 1 2.134 -1.004 2.492 0.00 0.00 +0.030 C ENDBRANCH 8 37 TORSDOF 7