REMARK Name = BDB024661 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.220 -0.008 -0.816 0.00 0.00 +0.407 C ATOM 2 N LIG 1 5.250 -0.558 0.041 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.571 -1.760 0.850 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.575 -1.428 1.969 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.361 -2.440 1.511 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.167 -2.425 0.585 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.841 -0.989 0.294 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.511 -0.521 0.244 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.345 -1.216 0.464 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.634 -0.347 0.293 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -0.136 0.907 -0.013 0.00 0.00 -0.324 N ATOM 12 C LIG 1 1.241 0.809 -0.056 0.00 0.00 +0.069 A ATOM 13 C LIG 1 2.263 1.725 -0.314 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.581 1.251 -0.273 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.891 -0.085 0.018 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.066 0.950 -1.567 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -0.936 2.106 -0.262 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -0.803 2.618 -1.702 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -1.784 3.759 -2.006 0.00 0.00 +0.033 C ATOM 20 C LIG 1 -2.148 4.610 -0.779 0.00 0.00 +0.118 C ATOM 21 C LIG 1 -1.006 4.616 0.239 0.00 0.00 +0.033 C ATOM 22 C LIG 1 -0.694 3.215 0.779 0.00 0.00 +0.027 C BRANCH 20 23 ATOM 23 O LIG 1 -3.296 4.055 -0.124 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 -4.526 4.541 -0.650 0.00 0.00 +0.194 C ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 8.415 -0.195 -1.646 0.00 0.00 +0.282 C ATOM 26 O LIG 1 7.401 -0.696 -0.773 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.094 -0.674 0.429 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -2.345 -2.181 0.632 0.00 0.00 +0.135 C BRANCH 28 29 ATOM 29 C LIG 1 -3.772 -2.533 0.208 0.00 0.00 -0.032 A ATOM 30 C LIG 1 -3.986 -3.403 -0.872 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -5.283 -3.718 -1.294 0.00 0.00 +0.044 A ATOM 32 CL LIG 1 -5.454 -4.794 -2.636 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -6.399 -3.171 -0.647 0.00 0.00 -0.032 A ATOM 34 C LIG 1 -7.804 -3.496 -1.071 0.00 0.00 +0.045 C ATOM 35 C LIG 1 -6.186 -2.303 0.432 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -4.891 -1.986 0.852 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 37 ATOM 37 C LIG 1 -2.028 -2.598 2.072 0.00 0.00 +0.313 C ATOM 38 O LIG 1 -2.859 -2.863 2.930 0.00 0.00 -0.250 OA BRANCH 37 39 ATOM 39 O LIG 1 -0.703 -2.659 2.349 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 -0.134 -2.312 1.615 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 28 37 ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 8