REMARK Name = BDB005918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.713 0.171 1.170 0.00 0.00 +0.102 A ATOM 2 C LIG 1 1.505 -0.533 1.109 0.00 0.00 +0.097 A ATOM 3 C LIG 1 1.503 -1.927 1.101 0.00 0.00 +0.095 A ATOM 4 N LIG 1 0.233 -2.428 1.073 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -0.562 -1.387 1.103 0.00 0.00 +0.200 A ATOM 6 C LIG 1 2.697 -2.648 1.134 0.00 0.00 +0.061 A ATOM 7 C LIG 1 3.853 -1.894 1.206 0.00 0.00 +0.112 A ATOM 8 N LIG 1 0.161 -0.207 1.044 0.00 0.00 -0.310 N ATOM 9 N LIG 1 3.869 -0.542 1.243 0.00 0.00 -0.241 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -1.922 -1.401 1.129 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -2.553 -2.593 0.525 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.060 -2.563 0.815 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -4.594 -3.639 -0.114 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -3.734 -3.502 -1.377 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -4.355 -2.795 2.190 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -3.330 -2.250 3.047 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -2.534 -2.620 -0.997 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -2.554 -1.056 2.438 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 3.075 2.399 0.100 0.00 0.00 +0.224 A ATOM 20 C LIG 1 2.862 1.613 1.238 0.00 0.00 +0.065 A ATOM 21 C LIG 1 2.834 2.273 2.477 0.00 0.00 +0.037 A ATOM 22 C LIG 1 2.985 3.653 2.530 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 2.937 4.481 4.032 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 3.161 4.343 1.342 0.00 0.00 +0.134 A ATOM 25 N LIG 1 3.200 3.750 0.126 0.00 0.00 -0.219 NA BRANCH 19 27 ATOM 26 C LIG 1 3.515 2.596 -2.196 0.00 0.00 +0.279 C ATOM 27 O LIG 1 3.106 1.755 -1.123 0.00 0.00 -0.479 OA ENDBRANCH 19 27 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 5.184 -2.541 1.264 0.00 0.00 +0.201 A ATOM 29 N LIG 1 5.355 -3.824 0.901 0.00 0.00 -0.270 N ATOM 30 H LIG 1 4.705 -4.484 0.514 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 6.662 -4.093 1.036 0.00 0.00 +0.440 A ATOM 32 O LIG 1 7.198 -5.156 0.768 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 7.292 -2.976 1.517 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 6.282 -1.972 1.644 0.00 0.00 -0.053 NA ENDBRANCH 7 28 BRANCH 8 35 ATOM 35 C LIG 1 -0.433 1.114 0.918 0.00 0.00 +0.128 C BRANCH 35 36 ATOM 36 C LIG 1 -1.211 1.365 -0.390 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -0.316 1.260 -1.632 0.00 0.00 +0.005 C ATOM 38 C LIG 1 -1.094 1.551 -2.914 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -1.773 2.925 -2.862 0.00 0.00 -0.014 C ATOM 40 C LIG 1 -2.585 3.174 -4.131 0.00 0.00 +0.007 C ATOM 41 C LIG 1 -2.660 3.047 -1.618 0.00 0.00 +0.003 C ATOM 42 C LIG 1 -1.884 2.746 -0.337 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 6