REMARK Name = BDB038430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.744 0.495 -0.505 0.00 0.00 -0.248 N ATOM 2 C LIG 1 -0.020 -0.573 -0.059 0.00 0.00 +0.253 C ATOM 3 O LIG 1 0.273 -1.533 0.629 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.380 -0.355 -0.573 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.502 -1.146 -0.404 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.697 -0.719 -0.996 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.721 0.495 -1.726 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.570 1.289 -1.889 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.396 0.835 -1.295 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.032 1.450 -1.279 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.917 2.167 -0.576 0.00 0.00 +0.121 A ATOM 12 N LIG 1 2.613 1.893 -0.763 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 2.113 0.733 -0.275 0.00 0.00 +0.131 A ATOM 14 C LIG 1 2.909 -0.173 0.412 0.00 0.00 +0.054 A ATOM 15 C LIG 1 4.252 0.133 0.638 0.00 0.00 +0.007 A ATOM 16 C LIG 1 4.753 1.334 0.149 0.00 0.00 +0.053 A BRANCH 15 17 ATOM 17 C LIG 1 5.122 -0.794 1.362 0.00 0.00 +0.079 A ATOM 18 N LIG 1 4.896 -1.204 2.661 0.00 0.00 -0.266 N ATOM 19 C LIG 1 3.832 -0.787 3.547 0.00 0.00 +0.173 C ATOM 20 N LIG 1 5.816 -2.076 3.123 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.658 -2.216 2.100 0.00 0.00 +0.146 A ATOM 22 C LIG 1 6.290 -1.445 0.982 0.00 0.00 +0.064 A BRANCH 22 23 ATOM 23 C LIG 1 7.005 -1.327 -0.404 0.00 0.00 +0.167 A ATOM 24 N LIG 1 8.139 -1.966 -0.835 0.00 0.00 -0.316 N ATOM 25 C LIG 1 8.947 -2.929 -0.139 0.00 0.00 +0.152 C ATOM 26 C LIG 1 8.375 -1.520 -2.101 0.00 0.00 +0.225 A ATOM 27 N LIG 1 7.451 -0.657 -2.442 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 6.584 -0.547 -1.383 0.00 0.00 -0.129 NA ENDBRANCH 22 23 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 N LIG 1 4.374 3.362 -1.145 0.00 0.00 -0.329 N ATOM 30 H LIG 1 3.552 3.736 -1.619 0.00 0.00 +0.147 HD BRANCH 29 32 ATOM 31 C LIG 1 5.788 4.476 -2.781 0.00 0.00 +0.024 C ATOM 32 C LIG 1 5.480 3.161 -2.082 0.00 0.00 +0.099 C ENDBRANCH 29 32 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 -2.607 2.586 -2.651 0.00 0.00 +0.418 C ATOM 34 F LIG 1 -1.649 2.646 -3.618 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -2.389 3.663 -1.847 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -3.789 2.819 -3.283 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 6 37 ATOM 37 C LIG 1 -4.964 -1.530 -0.837 0.00 0.00 +0.116 C BRANCH 37 38 ATOM 38 N LIG 1 -5.883 -0.863 0.079 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 -5.442 -0.790 1.001 0.00 0.00 +0.122 HD BRANCH 38 40 ATOM 40 C LIG 1 -7.118 -1.643 0.251 0.00 0.00 +0.116 C BRANCH 40 41 ATOM 41 C LIG 1 -7.972 -1.048 1.395 0.00 0.00 +0.082 C ATOM 42 C LIG 1 -8.659 0.294 1.017 0.00 0.00 +0.036 C ATOM 43 C LIG 1 -9.987 -0.270 1.551 0.00 0.00 +0.006 C ATOM 44 C LIG 1 -9.388 -1.684 1.462 0.00 0.00 +0.036 C BRANCH 41 45 ATOM 45 O LIG 1 -7.166 -1.089 2.611 0.00 0.00 -0.375 OA ATOM 46 C LIG 1 -7.690 -0.560 3.819 0.00 0.00 +0.194 C ENDBRANCH 41 45 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 11