REMARK Name = BDB017460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.978 2.702 -0.718 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.848 1.765 -1.762 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.647 1.057 -1.883 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.567 1.251 -1.031 0.00 0.00 +0.035 A ATOM 5 C LIG 1 -0.584 0.351 -1.504 0.00 0.00 +0.143 A ATOM 6 N LIG 1 -0.991 -0.359 -2.559 0.00 0.00 -0.164 NA ATOM 7 C LIG 1 -1.677 2.199 -0.001 0.00 0.00 +0.013 A ATOM 8 N LIG 1 -2.243 0.090 -2.766 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.775 -0.307 -3.531 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.879 2.910 0.134 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -6.553 -0.962 0.626 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -6.053 0.348 0.593 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.798 1.350 -0.012 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -6.579 2.822 -0.219 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -5.259 3.487 -0.553 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -7.840 3.286 -0.910 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -8.642 2.172 -1.085 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -9.550 2.218 -1.520 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -8.082 4.434 -1.244 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.891 3.668 0.813 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -8.047 1.023 -0.559 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -8.573 -0.251 -0.543 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.807 -1.255 0.058 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -6.161 -3.216 1.286 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.726 -1.863 1.241 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 0.730 0.131 -1.002 0.00 0.00 -0.039 C ATOM 27 C LIG 1 1.837 -0.048 -0.571 0.00 0.00 -0.059 C BRANCH 27 28 ATOM 28 C LIG 1 3.154 -0.258 -0.054 0.00 0.00 +0.025 A ATOM 29 C LIG 1 4.166 0.665 -0.322 0.00 0.00 +0.017 A ATOM 30 C LIG 1 5.452 0.459 0.185 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.740 -0.674 0.963 0.00 0.00 -0.033 A ATOM 32 C LIG 1 4.715 -1.593 1.228 0.00 0.00 +0.006 A ATOM 33 C LIG 1 3.429 -1.386 0.721 0.00 0.00 +0.017 A BRANCH 31 34 ATOM 34 C LIG 1 7.134 -0.890 1.515 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 8.168 -0.974 0.473 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 7.961 -2.147 -0.408 0.00 0.00 +0.113 C ATOM 37 C LIG 1 9.267 -2.596 -1.080 0.00 0.00 +0.175 C ATOM 38 O LIG 1 10.247 -3.048 -0.134 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 10.139 -2.399 1.140 0.00 0.00 +0.175 C ATOM 40 C LIG 1 9.528 -0.992 1.052 0.00 0.00 +0.113 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6