REMARK Name = BDB022332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.302 1.011 -0.005 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -0.835 0.350 0.481 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.492 -0.662 -0.253 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -2.703 -1.341 0.284 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.192 -2.372 -0.419 0.00 0.00 +0.093 A ATOM 6 C LIG 1 -2.637 -2.825 -1.711 0.00 0.00 +0.253 A ATOM 7 N LIG 1 -1.568 -2.112 -2.226 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -1.026 -2.522 -3.512 0.00 0.00 +0.152 C ATOM 9 O LIG 1 -3.162 -3.791 -2.263 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 -0.970 -1.037 -1.504 0.00 0.00 +0.054 A ATOM 11 C LIG 1 0.147 -0.352 -2.008 0.00 0.00 +0.028 A ATOM 12 C LIG 1 0.762 0.664 -1.272 0.00 0.00 +0.025 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.896 2.030 0.762 0.00 0.00 -0.298 N ATOM 14 H LIG 1 0.441 2.179 1.657 0.00 0.00 +0.154 HD BRANCH 13 17 ATOM 15 C LIG 1 4.505 2.034 0.378 0.00 0.00 +0.253 A ATOM 16 N LIG 1 3.216 1.633 0.286 0.00 0.00 -0.194 NA ATOM 17 C LIG 1 2.259 2.418 0.833 0.00 0.00 +0.147 A ATOM 18 C LIG 1 2.579 3.620 1.459 0.00 0.00 +0.099 A ATOM 19 CL LIG 1 1.405 4.646 2.187 0.00 0.00 -0.078 Cl ATOM 20 C LIG 1 3.909 3.962 1.484 0.00 0.00 +0.138 A ATOM 21 N LIG 1 4.882 3.197 0.957 0.00 0.00 -0.217 NA BRANCH 15 25 ATOM 22 C LIG 1 9.019 0.683 -0.806 0.00 0.00 +0.067 C ATOM 23 C LIG 1 7.546 0.581 -0.673 0.00 0.00 +0.061 A ATOM 24 N LIG 1 6.855 1.576 -0.115 0.00 0.00 -0.169 NA ATOM 25 N LIG 1 5.546 1.177 -0.150 0.00 0.00 -0.202 N ATOM 26 C LIG 1 5.433 -0.090 -0.722 0.00 0.00 +0.045 A ATOM 27 C LIG 1 4.160 -0.833 -0.893 0.00 0.00 +0.066 C ATOM 28 C LIG 1 6.711 -0.477 -1.068 0.00 0.00 +0.048 A ENDBRANCH 15 25 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 4 29 ATOM 29 N LIG 1 -3.246 -0.848 1.472 0.00 0.00 -0.334 N ATOM 30 H LIG 1 -3.284 0.174 1.436 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.496 -1.323 2.104 0.00 0.00 +0.135 C ATOM 32 C LIG 1 -4.447 -0.970 3.591 0.00 0.00 +0.036 C BRANCH 31 33 ATOM 33 C LIG 1 -5.727 -0.682 1.466 0.00 0.00 +0.149 A ATOM 34 N LIG 1 -5.693 0.652 1.231 0.00 0.00 -0.238 NA ATOM 35 C LIG 1 -6.785 1.184 0.651 0.00 0.00 +0.114 A ATOM 36 C LIG 1 -7.896 0.452 0.308 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -7.837 -0.890 0.597 0.00 0.00 +0.114 A ATOM 38 N LIG 1 -6.775 -1.482 1.176 0.00 0.00 -0.238 NA ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 4 29 TORSDOF 6