REMARK Name = BDB010280 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.786 1.690 -0.327 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -1.246 0.849 0.574 0.00 0.00 +0.045 A ATOM 3 C LIG 1 -1.962 -0.432 0.817 0.00 0.00 +0.263 A ATOM 4 O LIG 1 -1.414 -1.303 1.494 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -3.202 -0.570 0.213 0.00 0.00 -0.247 N ATOM 6 C LIG 1 -3.597 0.336 -0.743 0.00 0.00 +0.115 A ATOM 7 C LIG 1 -4.896 0.135 -1.496 0.00 0.00 +0.086 C ATOM 8 N LIG 1 -2.933 1.413 -1.024 0.00 0.00 -0.238 NA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -3.897 -1.796 0.424 0.00 0.00 +0.160 A ATOM 10 C LIG 1 -4.226 -2.240 1.715 0.00 0.00 +0.084 A ATOM 11 CL LIG 1 -4.046 -1.268 3.134 0.00 0.00 -0.080 Cl ATOM 12 C LIG 1 -4.849 -3.482 1.864 0.00 0.00 +0.037 A ATOM 13 C LIG 1 -5.142 -4.258 0.739 0.00 0.00 +0.074 A ATOM 14 C LIG 1 -4.827 -3.726 -0.500 0.00 0.00 +0.125 A ATOM 15 N LIG 1 -4.229 -2.524 -0.677 0.00 0.00 -0.235 NA BRANCH 13 16 ATOM 16 C LIG 1 -5.826 -5.587 0.837 0.00 0.00 +0.419 C ATOM 17 F LIG 1 -5.618 -6.207 2.030 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -5.418 -6.465 -0.118 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -7.175 -5.480 0.698 0.00 0.00 -0.166 F ENDBRANCH 13 16 ENDBRANCH 5 9 BRANCH 1 20 ATOM 20 C LIG 1 -1.172 3.030 -0.694 0.00 0.00 +0.056 C BRANCH 20 21 ATOM 21 C LIG 1 -1.896 4.187 0.003 0.00 0.00 +0.006 C BRANCH 21 23 ATOM 22 C LIG 1 -1.302 5.990 -1.703 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -1.241 5.547 -0.249 0.00 0.00 -0.003 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 2 24 ATOM 24 C LIG 1 -0.008 1.087 1.399 0.00 0.00 +0.097 C BRANCH 24 25 ATOM 25 C LIG 1 1.250 0.530 0.768 0.00 0.00 +0.046 A ATOM 26 N LIG 1 1.920 1.338 -0.091 0.00 0.00 -0.259 NA ATOM 27 C LIG 1 3.025 0.841 -0.692 0.00 0.00 +0.119 A ATOM 28 C LIG 1 3.546 -0.429 -0.454 0.00 0.00 +0.001 A ATOM 29 C LIG 1 2.838 -1.241 0.435 0.00 0.00 +0.012 A ATOM 30 C LIG 1 1.683 -0.762 1.052 0.00 0.00 +0.024 A BRANCH 28 31 ATOM 31 C LIG 1 4.786 -0.881 -1.095 0.00 0.00 -0.006 A ATOM 32 C LIG 1 6.006 -1.060 -0.396 0.00 0.00 +0.028 A ATOM 33 C LIG 1 7.124 -1.546 -1.103 0.00 0.00 +0.012 A ATOM 34 C LIG 1 7.059 -1.832 -2.467 0.00 0.00 +0.001 A ATOM 35 C LIG 1 5.868 -1.643 -3.154 0.00 0.00 +0.001 A ATOM 36 C LIG 1 4.744 -1.176 -2.475 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 6.198 -0.774 1.032 0.00 0.00 +0.180 A ATOM 38 N LIG 1 5.519 0.151 1.781 0.00 0.00 -0.239 N ATOM 39 H LIG 1 4.774 0.784 1.519 0.00 0.00 +0.192 HD ATOM 40 N LIG 1 5.973 0.164 3.041 0.00 0.00 -0.046 NA ATOM 41 N LIG 1 6.938 -0.741 3.066 0.00 0.00 -0.023 NA ATOM 42 N LIG 1 7.097 -1.322 1.833 0.00 0.00 -0.108 NA ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 9