REMARK Name = BDB030787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.945 -0.645 0.982 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -2.238 -0.121 1.132 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -3.073 0.180 0.031 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -4.455 0.708 0.227 0.00 0.00 +0.056 A ATOM 5 N LIG 1 -4.897 0.752 1.548 0.00 0.00 -0.337 N ATOM 6 H LIG 1 -4.744 -0.127 2.043 0.00 0.00 +0.146 HD ATOM 7 C LIG 1 -6.030 1.523 2.056 0.00 0.00 +0.105 C ATOM 8 C LIG 1 -5.748 1.862 3.518 0.00 0.00 +0.031 C ATOM 9 C LIG 1 -6.215 2.806 1.231 0.00 0.00 +0.254 C ATOM 10 O LIG 1 -6.917 2.521 0.006 0.00 0.00 -0.459 OA ATOM 11 C LIG 1 -6.575 1.464 -0.773 0.00 0.00 +0.346 C ATOM 12 O LIG 1 -7.432 0.863 -1.414 0.00 0.00 -0.245 OA ATOM 13 C LIG 1 -5.148 1.095 -0.863 0.00 0.00 +0.145 A ATOM 14 C LIG 1 -4.569 1.016 -2.232 0.00 0.00 +0.267 A ATOM 15 N LIG 1 -3.353 0.363 -2.384 0.00 0.00 -0.310 N ATOM 16 C LIG 1 -2.824 0.204 -3.732 0.00 0.00 +0.152 C ATOM 17 O LIG 1 -5.162 1.536 -3.178 0.00 0.00 -0.267 OA ATOM 18 C LIG 1 -2.575 -0.032 -1.262 0.00 0.00 +0.054 A ATOM 19 C LIG 1 -1.301 -0.599 -1.419 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.509 -0.916 -0.311 0.00 0.00 +0.025 A ENDROOT BRANCH 1 21 ATOM 21 N LIG 1 -0.196 -0.963 2.132 0.00 0.00 -0.298 N ATOM 22 H LIG 1 -0.602 -0.590 2.985 0.00 0.00 +0.154 HD BRANCH 21 25 ATOM 23 C LIG 1 3.369 -0.955 1.429 0.00 0.00 +0.220 A ATOM 24 N LIG 1 2.043 -0.800 1.275 0.00 0.00 -0.198 NA ATOM 25 C LIG 1 1.209 -1.100 2.293 0.00 0.00 +0.147 A ATOM 26 C LIG 1 1.702 -1.578 3.499 0.00 0.00 +0.099 A ATOM 27 CL LIG 1 0.702 -1.966 4.842 0.00 0.00 -0.078 Cl ATOM 28 C LIG 1 3.065 -1.717 3.579 0.00 0.00 +0.137 A ATOM 29 N LIG 1 3.905 -1.416 2.571 0.00 0.00 -0.221 NA BRANCH 23 33 ATOM 30 C LIG 1 4.153 0.438 -3.237 0.00 0.00 +0.009 C ATOM 31 C LIG 1 4.543 0.546 -1.762 0.00 0.00 +0.004 C ATOM 32 C LIG 1 3.605 -0.311 -0.896 0.00 0.00 +0.111 C ATOM 33 N LIG 1 4.223 -0.604 0.387 0.00 0.00 -0.299 N ATOM 34 C LIG 1 5.520 -1.281 0.412 0.00 0.00 +0.111 C ATOM 35 C LIG 1 6.314 -1.113 -0.895 0.00 0.00 +0.004 C ATOM 36 C LIG 1 6.092 -2.280 -1.862 0.00 0.00 +0.009 C ATOM 37 C LIG 1 6.036 0.244 -1.546 0.00 0.00 +0.009 C ENDBRANCH 23 33 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 3