REMARK Name = BDB027210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.791 1.775 0.348 0.00 0.00 +0.071 A ATOM 2 N LIG 1 -1.662 2.511 0.224 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 -0.486 1.921 0.545 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.334 0.609 1.001 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -1.515 -0.127 1.166 0.00 0.00 -0.003 A ATOM 6 C LIG 1 -2.746 0.467 0.827 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -6.451 3.791 -0.784 0.00 0.00 +0.155 A ATOM 8 C LIG 1 -5.343 4.498 -0.313 0.00 0.00 +0.165 A ATOM 9 F LIG 1 -5.400 5.835 -0.194 0.00 0.00 -0.202 F ATOM 10 C LIG 1 -4.163 3.849 0.051 0.00 0.00 +0.052 A ATOM 11 C LIG 1 -4.045 2.453 -0.043 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -5.162 1.750 -0.533 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -6.350 2.405 -0.896 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 -8.705 3.842 -1.544 0.00 0.00 +0.277 C ATOM 15 O LIG 1 -7.549 4.540 -1.104 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 0.908 0.036 1.310 0.00 0.00 -0.327 N ATOM 17 C LIG 1 1.916 0.095 0.224 0.00 0.00 +0.129 C ATOM 18 C LIG 1 3.341 -0.277 0.726 0.00 0.00 +0.056 C ATOM 19 C LIG 1 3.768 0.735 1.818 0.00 0.00 +0.027 C ATOM 20 C LIG 1 2.595 1.285 2.638 0.00 0.00 +0.021 C ATOM 21 C LIG 1 1.391 0.350 2.669 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 N LIG 1 3.383 -1.640 1.327 0.00 0.00 -0.322 NA ATOM 23 H LIG 1 4.373 -1.857 1.490 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 3.087 -2.319 0.624 0.00 0.00 +0.119 HD ENDBRANCH 18 22 BRANCH 18 25 ATOM 25 C LIG 1 4.331 -0.234 -0.470 0.00 0.00 +0.183 C BRANCH 25 26 ATOM 26 O LIG 1 5.640 -0.609 -0.022 0.00 0.00 -0.375 OA BRANCH 26 27 ATOM 27 C LIG 1 6.620 -0.618 -1.064 0.00 0.00 +0.112 C ATOM 28 C LIG 1 7.123 0.795 -1.339 0.00 0.00 +0.037 C ATOM 29 C LIG 1 7.766 -1.505 -0.589 0.00 0.00 +0.037 C ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 18 25 ENDBRANCH 4 16 BRANCH 5 30 ATOM 30 C LIG 1 -1.503 -1.551 1.663 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 -1.158 -2.489 0.614 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -1.986 -2.948 -0.372 0.00 0.00 +0.166 A ATOM 33 C LIG 1 -1.212 -3.848 -1.089 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -1.829 -4.475 -2.184 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -3.108 -4.152 -2.479 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 -3.743 -3.264 -1.684 0.00 0.00 +0.225 A ATOM 37 N LIG 1 0.059 -3.944 -0.556 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 -3.267 -2.610 -0.604 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 0.044 -3.131 0.480 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 -1.185 -5.404 -2.991 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -0.174 -5.368 -2.926 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -1.601 -5.472 -3.909 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 10