REMARK Name = BDB018062 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.440 1.193 -0.272 0.00 0.00 -0.271 N ATOM 2 C LIG 1 0.714 1.373 -1.458 0.00 0.00 +0.225 C ATOM 3 O LIG 1 1.182 1.339 -2.596 0.00 0.00 -0.275 OA ATOM 4 C LIG 1 -0.793 1.543 -1.305 0.00 0.00 +0.103 C ATOM 5 C LIG 1 -1.469 0.181 -1.067 0.00 0.00 +0.069 C ATOM 6 C LIG 1 -2.713 0.556 -0.232 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -3.343 -0.630 0.460 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -4.655 -0.789 0.004 0.00 0.00 +0.040 A ATOM 9 C LIG 1 -5.478 -1.802 0.448 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -4.946 -2.685 1.388 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -3.629 -2.544 1.859 0.00 0.00 +0.020 A ATOM 12 CL LIG 1 -5.924 -3.971 1.986 0.00 0.00 -0.083 Cl ATOM 13 N LIG 1 -4.972 0.203 -0.913 0.00 0.00 -0.283 N ATOM 14 H LIG 1 -5.862 0.314 -1.376 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -2.815 -1.507 1.394 0.00 0.00 +0.009 A ATOM 16 N LIG 1 -2.172 1.605 0.681 0.00 0.00 -0.281 NA ATOM 17 C LIG 1 -3.901 1.066 -1.122 0.00 0.00 +0.243 C ATOM 18 O LIG 1 -3.918 2.042 -1.858 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 -1.247 2.426 -0.138 0.00 0.00 +0.072 C ATOM 20 C LIG 1 -0.066 2.914 0.687 0.00 0.00 +0.039 C ATOM 21 C LIG 1 0.900 1.771 0.961 0.00 0.00 +0.115 C ENDROOT BRANCH 5 22 ATOM 22 C LIG 1 -1.704 -0.687 -2.293 0.00 0.00 -0.004 A ATOM 23 C LIG 1 -1.521 -2.077 -2.192 0.00 0.00 +0.145 A ATOM 24 F LIG 1 -1.127 -2.600 -1.019 0.00 0.00 -0.204 F ATOM 25 C LIG 1 -1.741 -2.923 -3.280 0.00 0.00 +0.076 A ATOM 26 CL LIG 1 -1.521 -4.624 -3.127 0.00 0.00 -0.081 Cl ATOM 27 C LIG 1 -2.148 -2.394 -4.501 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -2.335 -1.018 -4.625 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -2.117 -0.173 -3.532 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 33 ATOM 30 C LIG 1 5.101 -1.034 -0.073 0.00 0.00 +0.037 A ATOM 31 C LIG 1 4.566 -0.458 1.077 0.00 0.00 +0.015 A ATOM 32 C LIG 1 3.369 0.270 1.002 0.00 0.00 +0.024 A ATOM 33 C LIG 1 2.679 0.446 -0.214 0.00 0.00 +0.036 A ATOM 34 C LIG 1 3.224 -0.190 -1.343 0.00 0.00 +0.024 A ATOM 35 C LIG 1 4.417 -0.924 -1.279 0.00 0.00 +0.015 A BRANCH 30 38 ATOM 36 C LIG 1 7.727 0.183 0.606 0.00 0.00 +0.132 C ATOM 37 N LIG 1 7.492 -1.253 0.533 0.00 0.00 -0.304 N ATOM 38 C LIG 1 6.345 -1.832 -0.012 0.00 0.00 +0.246 C ATOM 39 O LIG 1 6.300 -2.987 -0.428 0.00 0.00 -0.270 OA ATOM 40 C LIG 1 8.665 -2.096 0.684 0.00 0.00 +0.132 C ENDBRANCH 30 38 ENDBRANCH 1 33 BRANCH 16 41 ATOM 41 C LIG 1 -3.155 2.435 1.389 0.00 0.00 +0.089 C BRANCH 41 42 ATOM 42 C LIG 1 -3.719 1.722 2.582 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -2.831 1.303 3.729 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -3.814 2.423 3.917 0.00 0.00 +0.005 C ENDBRANCH 41 42 ENDBRANCH 16 41 TORSDOF 5