REMARK Name = BDB055046 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.319 1.478 -0.416 0.00 0.00 -0.308 N ATOM 2 C LIG 1 0.026 1.435 -0.908 0.00 0.00 +0.071 A ATOM 3 C LIG 1 -0.300 2.768 -1.124 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -1.563 3.106 -1.628 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -2.473 2.081 -1.907 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.142 0.734 -1.690 0.00 0.00 -0.031 A ATOM 7 N LIG 1 0.740 3.586 -0.785 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.873 0.392 -1.185 0.00 0.00 +0.033 A ATOM 9 C LIG 1 1.704 2.808 -0.352 0.00 0.00 +0.203 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.159 -1.566 0.754 0.00 0.00 +0.075 C ATOM 11 C LIG 1 3.983 -1.263 -0.746 0.00 0.00 +0.015 C ATOM 12 C LIG 1 3.271 0.060 -1.036 0.00 0.00 +0.026 C ATOM 13 C LIG 1 2.108 0.300 -0.063 0.00 0.00 +0.091 C ATOM 14 C LIG 1 2.537 0.267 1.416 0.00 0.00 +0.026 C ATOM 15 C LIG 1 3.933 -0.321 1.620 0.00 0.00 +0.015 C BRANCH 10 18 ATOM 16 N LIG 1 5.720 -3.400 0.401 0.00 0.00 -0.313 N ATOM 17 H LIG 1 4.911 -3.874 0.021 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 5.531 -2.182 1.024 0.00 0.00 +0.216 C ATOM 19 O LIG 1 6.380 -1.644 1.724 0.00 0.00 -0.276 OA BRANCH 16 21 ATOM 20 C LIG 1 7.158 -5.120 -0.568 0.00 0.00 +0.027 C ATOM 21 C LIG 1 6.928 -4.186 0.615 0.00 0.00 +0.067 C ATOM 22 C LIG 1 6.833 -4.975 1.919 0.00 0.00 +0.027 C ENDBRANCH 16 21 ENDBRANCH 10 18 ENDBRANCH 1 13 BRANCH 9 23 ATOM 23 N LIG 1 2.941 3.214 0.090 0.00 0.00 -0.252 N ATOM 24 H LIG 1 3.658 2.531 0.275 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 3.412 4.505 0.131 0.00 0.00 +0.250 C ATOM 26 O LIG 1 4.620 4.697 0.283 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 2.526 5.684 0.038 0.00 0.00 +0.037 A ATOM 28 C LIG 1 1.460 5.858 0.932 0.00 0.00 +0.016 A ATOM 29 C LIG 1 0.675 7.010 0.857 0.00 0.00 +0.039 A ATOM 30 C LIG 1 0.975 7.984 -0.091 0.00 0.00 +0.123 A ATOM 31 F LIG 1 0.222 9.090 -0.159 0.00 0.00 -0.205 F ATOM 32 C LIG 1 2.050 7.834 -0.963 0.00 0.00 +0.039 A ATOM 33 C LIG 1 2.836 6.683 -0.893 0.00 0.00 +0.016 A ENDBRANCH 25 27 ENDBRANCH 9 23 BRANCH 6 34 ATOM 34 C LIG 1 -3.149 -0.353 -2.016 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -4.405 -0.233 -1.256 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -4.199 -0.532 0.170 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -5.499 -0.356 0.955 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -6.657 -1.231 0.436 0.00 0.00 +0.023 C ATOM 39 C LIG 1 -6.761 -1.001 -1.086 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -5.427 -1.117 -1.829 0.00 0.00 +0.085 C BRANCH 38 41 ATOM 41 C LIG 1 -6.601 -2.732 0.875 0.00 0.00 +0.063 C ATOM 42 C LIG 1 -7.877 -3.486 0.458 0.00 0.00 +0.041 C ATOM 43 C LIG 1 -6.453 -2.873 2.398 0.00 0.00 +0.041 C BRANCH 41 44 ATOM 44 O LIG 1 -5.476 -3.399 0.304 0.00 0.00 -0.389 OA ATOM 45 H LIG 1 -5.746 -3.793 -0.542 0.00 0.00 +0.210 HD ENDBRANCH 41 44 ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9