REMARK Name = BDB029076 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.365 -4.165 -2.023 0.00 0.00 +0.086 C ATOM 2 C LIG 1 -1.918 -2.830 -1.578 0.00 0.00 +0.111 A ATOM 3 N LIG 1 -2.988 -2.833 -0.674 0.00 0.00 -0.299 N ATOM 4 C LIG 1 -3.549 -4.078 -0.175 0.00 0.00 +0.153 C ATOM 5 C LIG 1 -3.543 -1.640 -0.176 0.00 0.00 +0.264 A ATOM 6 O LIG 1 -4.444 -1.593 0.656 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 -2.936 -0.450 -0.731 0.00 0.00 +0.091 A ATOM 8 C LIG 1 -3.138 0.943 -0.539 0.00 0.00 +0.018 A ATOM 9 C LIG 1 -2.218 1.591 -1.348 0.00 0.00 +0.097 A ATOM 10 N LIG 1 -1.466 0.637 -1.990 0.00 0.00 -0.322 N ATOM 11 C LIG 1 -1.906 -0.605 -1.627 0.00 0.00 +0.149 A ATOM 12 N LIG 1 -1.363 -1.757 -2.068 0.00 0.00 -0.216 NA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -4.079 1.651 0.306 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -3.672 2.603 1.230 0.00 0.00 +0.178 A ATOM 15 O LIG 1 -2.389 3.006 1.468 0.00 0.00 -0.452 OA ATOM 16 C LIG 1 -2.586 3.967 2.522 0.00 0.00 +0.467 C ATOM 17 O LIG 1 -3.968 4.152 2.872 0.00 0.00 -0.449 OA ATOM 18 C LIG 1 -4.574 3.259 2.040 0.00 0.00 +0.209 A ATOM 19 C LIG 1 -5.932 3.007 1.972 0.00 0.00 +0.175 A ATOM 20 C LIG 1 -6.375 2.038 1.061 0.00 0.00 +0.082 A ATOM 21 C LIG 1 -5.452 1.376 0.223 0.00 0.00 +0.029 A BRANCH 20 22 ATOM 22 C LIG 1 -7.804 1.666 0.930 0.00 0.00 +0.245 C ATOM 23 O LIG 1 -8.289 1.306 -0.133 0.00 0.00 -0.270 OA ATOM 24 N LIG 1 -8.557 1.723 2.074 0.00 0.00 -0.325 N ATOM 25 H LIG 1 -9.468 1.284 1.987 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 -8.096 1.587 2.968 0.00 0.00 +0.145 HD ENDBRANCH 20 22 BRANCH 19 27 ATOM 27 O LIG 1 -6.769 3.726 2.777 0.00 0.00 -0.503 OA ATOM 28 H LIG 1 -7.685 3.610 2.460 0.00 0.00 +0.292 HD ENDBRANCH 19 27 ENDBRANCH 8 13 BRANCH 10 29 ATOM 29 C LIG 1 -0.337 0.904 -2.867 0.00 0.00 +0.219 C BRANCH 29 30 ATOM 30 C LIG 1 1.024 0.565 -2.272 0.00 0.00 +0.237 C ATOM 31 N LIG 1 1.111 0.630 -0.891 0.00 0.00 -0.283 N ATOM 32 H LIG 1 0.261 0.847 -0.375 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 1.972 0.339 -3.025 0.00 0.00 -0.274 OA BRANCH 31 34 ATOM 34 C LIG 1 2.234 0.368 -0.064 0.00 0.00 +0.057 A ATOM 35 C LIG 1 2.073 0.471 1.318 0.00 0.00 +0.080 A ATOM 36 CL LIG 1 0.567 0.902 2.040 0.00 0.00 -0.080 Cl ATOM 37 C LIG 1 3.167 0.214 2.119 0.00 0.00 +0.134 A ATOM 38 N LIG 1 4.385 -0.130 1.643 0.00 0.00 -0.239 NA ATOM 39 C LIG 1 4.565 -0.238 0.306 0.00 0.00 +0.123 A ATOM 40 C LIG 1 3.492 0.006 -0.558 0.00 0.00 +0.068 A BRANCH 39 41 ATOM 41 N LIG 1 5.817 -0.624 -0.148 0.00 0.00 -0.308 N ATOM 42 C LIG 1 6.951 -0.531 0.799 0.00 0.00 +0.097 C ATOM 43 C LIG 1 7.194 -1.893 1.452 0.00 0.00 +0.030 C ATOM 44 C LIG 1 8.212 -0.016 0.066 0.00 0.00 +0.182 C ATOM 45 O LIG 1 8.609 -0.802 -1.063 0.00 0.00 -0.376 OA ATOM 46 C LIG 1 7.506 -1.320 -1.817 0.00 0.00 +0.179 C ATOM 47 C LIG 1 6.162 -0.613 -1.576 0.00 0.00 +0.135 C ENDBRANCH 39 41 ENDBRANCH 31 34 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7