REMARK Name = BDB031733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.111 -0.989 2.612 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.021 -0.242 3.097 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.805 -0.302 2.406 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.612 -1.073 1.269 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.749 -0.846 0.887 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.346 0.005 1.729 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 1.690 -1.840 0.790 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.397 0.307 2.628 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.633 0.945 3.378 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.915 -1.789 1.472 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.336 1.338 -0.777 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.949 0.956 0.516 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.789 0.151 1.271 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.700 -0.427 2.655 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.449 -0.971 3.315 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.011 -1.159 2.831 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.718 -1.016 1.651 0.00 0.00 -0.284 N ATOM 18 H LIG 1 8.635 -1.412 1.514 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 7.356 -1.758 3.836 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.066 0.330 3.786 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.017 -0.244 0.722 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.432 0.113 -0.543 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.572 0.915 -1.300 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.739 2.524 -2.754 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.424 2.126 -1.425 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.289 -1.443 -0.198 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -0.710 -2.034 -0.781 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.558 -1.394 -0.777 0.00 0.00 +0.129 A ATOM 29 N LIG 1 -2.679 -2.095 -1.917 0.00 0.00 -0.217 NA ATOM 30 C LIG 1 -3.881 -2.090 -2.512 0.00 0.00 +0.130 A ATOM 31 C LIG 1 -4.021 -2.849 -3.794 0.00 0.00 +0.088 C ATOM 32 N LIG 1 -4.955 -1.416 -2.071 0.00 0.00 -0.218 NA ATOM 33 C LIG 1 -4.826 -0.713 -0.935 0.00 0.00 +0.127 A ATOM 34 C LIG 1 -3.623 -0.694 -0.251 0.00 0.00 +0.087 A BRANCH 33 35 ATOM 35 N LIG 1 -5.937 0.009 -0.441 0.00 0.00 -0.312 N ATOM 36 C LIG 1 -5.628 1.433 -0.197 0.00 0.00 +0.129 C ATOM 37 C LIG 1 -6.880 2.269 -0.057 0.00 0.00 +0.185 C ATOM 38 S LIG 1 -7.768 2.261 -1.597 0.00 0.00 -0.028 S ATOM 39 O LIG 1 -9.179 2.392 -1.283 0.00 0.00 -0.174 OA ATOM 40 O LIG 1 -7.123 3.210 -2.486 0.00 0.00 -0.174 OA ATOM 41 C LIG 1 -7.502 0.626 -2.249 0.00 0.00 +0.185 C ATOM 42 C LIG 1 -7.219 -0.311 -1.097 0.00 0.00 +0.129 C ENDBRANCH 33 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5