REMARK Name = BDB035803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.352 -0.492 0.117 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.800 -1.281 0.046 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.981 -2.459 0.295 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.883 -0.415 -0.438 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.207 -0.740 -0.672 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.056 0.266 -1.154 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.542 1.567 -1.371 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.192 1.883 -1.121 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.372 0.861 -0.653 0.00 0.00 -0.009 A ATOM 10 C LIG 1 0.079 0.879 -0.297 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.030 -0.396 0.928 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.727 -0.017 0.529 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.643 -0.912 0.540 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.890 -2.216 0.977 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.167 -2.612 1.383 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.231 -1.712 1.357 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.136 0.653 0.834 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 5.843 -1.210 -1.671 0.00 0.00 +0.151 C ATOM 19 N LIG 1 5.759 0.225 -1.637 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.453 1.051 -0.583 0.00 0.00 +0.141 A ATOM 21 N LIG 1 5.472 2.298 -1.019 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 5.789 2.289 -2.354 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 5.959 1.040 -2.711 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 6.414 0.289 1.597 0.00 0.00 +0.009 C ATOM 25 C LIG 1 6.331 0.269 3.152 0.00 0.00 +0.041 C ATOM 26 C LIG 1 7.768 0.839 3.167 0.00 0.00 +0.167 C ATOM 27 F LIG 1 8.752 -0.092 3.188 0.00 0.00 -0.245 F ATOM 28 C LIG 1 7.456 1.433 1.776 0.00 0.00 +0.041 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.667 3.266 -1.398 0.00 0.00 +0.372 C ATOM 30 F LIG 1 -2.605 4.236 -1.214 0.00 0.00 -0.204 F ATOM 31 F LIG 1 -0.621 3.608 -0.595 0.00 0.00 -0.204 F ENDBRANCH 8 29 BRANCH 6 32 ATOM 32 C LIG 1 -5.518 -0.035 -1.401 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 -6.247 -0.065 -0.135 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 -6.153 0.841 0.325 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 -7.636 -0.517 -0.291 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -8.170 -0.821 1.141 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -8.731 -2.144 0.579 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -7.665 -2.053 -0.532 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -8.515 0.383 -1.139 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8