REMARK Name = BDB038569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.823 0.226 0.578 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -1.899 1.516 0.946 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -3.083 2.063 1.311 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -4.246 1.302 1.305 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -4.207 -0.034 0.899 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.962 -0.574 0.550 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.822 -1.318 -0.903 0.00 0.00 -0.030 A ATOM 8 C LIG 1 3.016 -0.245 -0.492 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.670 -0.488 -0.278 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.614 0.445 0.134 0.00 0.00 +0.253 C ATOM 11 N LIG 1 -0.567 -0.297 0.204 0.00 0.00 -0.248 N ATOM 12 C LIG 1 -0.352 -1.690 -0.147 0.00 0.00 +0.154 C ATOM 13 O LIG 1 0.853 1.623 0.323 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.100 -1.741 -0.447 0.00 0.00 +0.018 A ATOM 15 C LIG 1 1.882 -2.800 -0.842 0.00 0.00 +0.129 A ATOM 16 F LIG 1 1.342 -4.012 -1.012 0.00 0.00 -0.205 F ATOM 17 C LIG 1 3.243 -2.598 -1.071 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 5.303 -1.117 -1.138 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 N LIG 1 6.073 -1.761 -0.077 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 5.739 -1.392 0.820 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.527 -1.470 -0.103 0.00 0.00 +0.079 C ATOM 22 C LIG 1 8.175 -1.869 -1.431 0.00 0.00 +0.026 C BRANCH 21 23 ATOM 23 C LIG 1 7.839 -0.001 0.320 0.00 0.00 +0.131 C ATOM 24 C LIG 1 9.331 0.214 0.576 0.00 0.00 +0.039 C BRANCH 23 26 ATOM 25 C LIG 1 6.812 1.632 1.735 0.00 0.00 +0.194 C ATOM 26 O LIG 1 7.105 0.256 1.533 0.00 0.00 -0.379 OA ENDBRANCH 23 26 ENDBRANCH 21 23 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 -5.436 -0.850 0.823 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -6.567 -0.479 0.053 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -7.722 -1.285 0.072 0.00 0.00 +0.031 A ATOM 30 C LIG 1 -7.764 -2.465 0.818 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -6.649 -2.846 1.563 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.503 -2.045 1.568 0.00 0.00 +0.010 A BRANCH 28 33 ATOM 33 C LIG 1 -6.625 0.747 -0.745 0.00 0.00 +0.164 A ATOM 34 N LIG 1 -5.841 1.076 -1.823 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.824 0.295 -2.474 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -6.237 2.318 -2.220 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -7.231 2.723 -1.468 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -7.483 1.733 -0.550 0.00 0.00 -0.129 NA ENDBRANCH 28 33 BRANCH 30 39 ATOM 39 C LIG 1 -8.944 -3.279 0.820 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.889 -3.951 0.819 0.00 0.00 -0.191 NA ENDBRANCH 30 39 ENDBRANCH 5 27 BRANCH 3 41 ATOM 41 C LIG 1 -3.115 3.513 1.727 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -3.826 4.529 0.860 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -2.328 4.540 0.943 0.00 0.00 +0.010 C ENDBRANCH 3 41 TORSDOF 10