REMARK Name = BDB022284 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.379 -0.057 -1.378 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -2.599 -0.454 -0.620 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.883 -1.814 -0.395 0.00 0.00 +0.054 A ATOM 4 C LIG 1 -4.026 -2.158 0.343 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -4.894 -1.177 0.833 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -4.649 0.174 0.600 0.00 0.00 +0.032 A ATOM 7 N LIG 1 -2.023 -2.813 -0.937 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -2.310 -4.223 -0.724 0.00 0.00 +0.152 C ATOM 9 C LIG 1 -0.925 -2.482 -1.713 0.00 0.00 +0.253 A ATOM 10 O LIG 1 -0.173 -3.300 -2.240 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 -3.505 0.515 -0.135 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -0.636 -1.044 -1.896 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -1.107 1.311 -1.464 0.00 0.00 -0.334 N ATOM 14 H LIG 1 -1.171 1.721 -0.531 0.00 0.00 +0.147 HD BRANCH 13 16 ATOM 15 C LIG 1 -0.092 1.795 -3.684 0.00 0.00 +0.036 C ATOM 16 C LIG 1 0.015 1.974 -2.170 0.00 0.00 +0.135 C BRANCH 16 17 ATOM 17 C LIG 1 1.377 1.639 -1.565 0.00 0.00 +0.149 A ATOM 18 N LIG 1 2.284 0.977 -2.306 0.00 0.00 -0.237 NA ATOM 19 C LIG 1 3.451 0.659 -1.696 0.00 0.00 +0.137 A ATOM 20 C LIG 1 3.782 0.951 -0.381 0.00 0.00 +0.067 A ATOM 21 C LIG 1 2.774 1.662 0.257 0.00 0.00 +0.137 A ATOM 22 N LIG 1 1.582 2.008 -0.284 0.00 0.00 -0.237 NA BRANCH 20 23 ATOM 23 N LIG 1 4.993 0.630 0.246 0.00 0.00 -0.323 N ATOM 24 C LIG 1 6.061 0.025 -0.585 0.00 0.00 +0.136 C ATOM 25 C LIG 1 7.378 -0.057 0.217 0.00 0.00 +0.133 C ATOM 26 C LIG 1 8.464 -0.756 -0.589 0.00 0.00 +0.039 C ATOM 27 O LIG 1 7.190 -0.803 1.433 0.00 0.00 -0.371 OA ATOM 28 C LIG 1 6.208 -0.163 2.267 0.00 0.00 +0.133 C ATOM 29 C LIG 1 6.095 -0.976 3.549 0.00 0.00 +0.039 C ATOM 30 C LIG 1 4.843 -0.071 1.549 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 31 ATOM 31 N LIG 1 -5.522 1.197 1.017 0.00 0.00 -0.313 N ATOM 32 H LIG 1 -5.049 2.088 1.154 0.00 0.00 +0.152 HD BRANCH 31 33 ATOM 33 C LIG 1 -6.909 1.195 1.290 0.00 0.00 +0.053 A ATOM 34 C LIG 1 -7.466 2.071 2.242 0.00 0.00 +0.110 A ATOM 35 C LIG 1 -8.829 1.982 2.494 0.00 0.00 +0.148 A ATOM 36 CL LIG 1 -9.645 2.989 3.630 0.00 0.00 -0.061 Cl ATOM 37 N LIG 1 -9.664 1.108 1.887 0.00 0.00 -0.242 NA ATOM 38 C LIG 1 -9.113 0.279 0.981 0.00 0.00 +0.114 A ATOM 39 C LIG 1 -7.766 0.283 0.661 0.00 0.00 +0.044 A BRANCH 34 40 ATOM 40 C LIG 1 -6.655 3.022 2.932 0.00 0.00 +0.104 C ATOM 41 N LIG 1 -5.955 3.788 3.452 0.00 0.00 -0.191 NA ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 6 31 TORSDOF 7