REMARK Name = BDB035585 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.018 -0.210 -0.515 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.150 -0.481 -1.234 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.332 -0.727 -2.413 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.264 -0.427 -0.279 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.613 -0.622 -0.517 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.491 -0.515 0.569 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.979 -0.204 1.853 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.603 -0.008 2.077 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.756 -0.129 0.979 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.271 0.021 0.896 0.00 0.00 +0.150 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -2.924 -0.341 -2.884 0.00 0.00 -0.046 A ATOM 12 C LIG 1 -3.982 -0.066 -2.009 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -3.773 0.179 -0.641 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -2.430 0.127 -0.194 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.341 -0.157 -1.035 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -1.614 -0.388 -2.385 0.00 0.00 +0.027 A BRANCH 13 17 ATOM 17 C LIG 1 -4.968 0.480 0.390 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -4.910 1.871 1.113 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.442 1.978 0.979 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -6.353 0.950 -0.167 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -5.071 -0.731 1.417 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.435 -2.023 1.156 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.808 -2.606 -0.103 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.313 -2.693 2.335 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.877 -1.874 3.263 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.712 -0.640 2.682 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -7.261 1.558 2.090 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -7.163 2.330 3.278 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 13 17 BRANCH 11 30 ATOM 29 C LIG 1 -3.442 -2.094 -4.601 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -3.190 -0.616 -4.343 0.00 0.00 +0.032 C ENDBRANCH 11 30 ENDBRANCH 1 15 BRANCH 8 31 ATOM 31 C LIG 1 2.062 0.324 3.442 0.00 0.00 +0.418 C ATOM 32 F LIG 1 3.019 0.435 4.402 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.187 -0.618 3.888 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.379 1.501 3.451 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.981 -0.698 0.372 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.662 0.595 0.446 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.161 1.256 -0.148 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 8.107 0.494 0.152 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.665 1.948 0.119 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.401 1.985 -1.399 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.344 0.445 -1.383 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.880 -0.458 1.042 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9