REMARK Name = BDB028061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.016 -0.395 -1.914 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.784 -1.560 -1.140 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.625 -1.714 -0.356 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.704 -0.671 -0.373 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.600 -0.537 0.344 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.087 0.773 -0.069 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.197 1.388 -0.956 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.244 2.462 -1.527 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.932 0.467 -1.138 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.064 0.633 -1.914 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.313 1.311 0.412 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.136 0.561 1.272 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.362 1.048 1.770 0.00 0.00 -0.036 A ATOM 14 C LIG 1 -4.753 2.336 1.379 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.956 3.100 0.532 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.748 2.590 0.053 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.247 0.187 2.668 0.00 0.00 +0.034 C ATOM 18 C LIG 1 -4.646 -0.315 3.977 0.00 0.00 +0.016 C ATOM 19 C LIG 1 -5.684 0.763 4.010 0.00 0.00 +0.016 C BRANCH 17 20 ATOM 20 C LIG 1 -6.222 -0.739 1.934 0.00 0.00 +0.244 C ATOM 21 F LIG 1 -5.482 -1.603 1.173 0.00 0.00 -0.236 F BRANCH 20 22 ATOM 22 C LIG 1 -7.257 -0.039 1.114 0.00 0.00 +0.168 A ATOM 23 N LIG 1 -7.240 0.098 -0.250 0.00 0.00 -0.318 N ATOM 24 C LIG 1 -6.271 -0.412 -1.182 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -8.347 0.822 -0.571 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -9.014 1.113 0.520 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -8.332 0.570 1.581 0.00 0.00 -0.132 NA ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.390 -2.944 0.476 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.351 -3.897 0.343 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.320 -2.659 1.805 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.210 -3.553 0.168 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 4.280 -0.270 -2.743 0.00 0.00 +0.119 C BRANCH 32 40 ATOM 33 C LIG 1 6.691 -0.584 0.888 0.00 0.00 +0.015 C ATOM 34 C LIG 1 6.947 0.512 -0.151 0.00 0.00 +0.069 C ATOM 35 C LIG 1 8.155 0.210 -1.026 0.00 0.00 +0.254 C ATOM 36 F LIG 1 9.237 -0.066 -0.256 0.00 0.00 -0.205 F ATOM 37 F LIG 1 8.476 1.335 -1.727 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.927 -0.916 -2.012 0.00 0.00 +0.091 C ATOM 39 C LIG 1 6.663 -0.651 -2.821 0.00 0.00 +0.090 C ATOM 40 N LIG 1 5.505 -0.438 -1.938 0.00 0.00 -0.298 NA ATOM 41 C LIG 1 5.730 0.726 -1.059 0.00 0.00 +0.093 C ENDBRANCH 32 40 ENDBRANCH 1 32 TORSDOF 7