REMARK Name = BDB038381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.661 0.764 -0.074 0.00 0.00 -0.248 N ATOM 2 C LIG 1 0.030 -0.434 0.044 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.361 -1.565 0.260 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.453 -0.111 -0.129 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.536 -0.973 -0.104 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.812 -0.420 -0.283 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.946 0.976 -0.480 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.832 1.840 -0.501 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.579 1.262 -0.319 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.223 1.899 -0.292 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.311 0.177 0.133 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -2.942 -0.087 0.112 0.00 0.00 +0.054 A ATOM 13 C LIG 1 -2.052 0.965 -0.032 0.00 0.00 +0.129 A ATOM 14 N LIG 1 -2.481 2.244 -0.145 0.00 0.00 -0.236 NA ATOM 15 C LIG 1 -3.814 2.509 -0.162 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -4.749 1.489 -0.011 0.00 0.00 +0.033 A BRANCH 11 18 ATOM 17 C LIG 1 -6.079 -1.546 -0.653 0.00 0.00 +0.064 A ATOM 18 C LIG 1 -5.269 -0.914 0.278 0.00 0.00 +0.079 A ATOM 19 N LIG 1 -5.503 -1.575 1.465 0.00 0.00 -0.266 N ATOM 20 C LIG 1 -4.910 -1.299 2.755 0.00 0.00 +0.173 C ATOM 21 N LIG 1 -6.409 -2.568 1.358 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -6.744 -2.552 0.068 0.00 0.00 +0.146 A BRANCH 17 25 ATOM 23 C LIG 1 -7.704 -3.002 -3.046 0.00 0.00 +0.152 C ATOM 24 N LIG 1 -6.899 -1.818 -3.148 0.00 0.00 -0.316 N ATOM 25 C LIG 1 -6.181 -1.184 -2.166 0.00 0.00 +0.167 A ATOM 26 N LIG 1 -5.557 -0.159 -2.719 0.00 0.00 -0.129 NA ATOM 27 N LIG 1 -5.871 -0.116 -4.060 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -6.672 -1.124 -4.303 0.00 0.00 +0.225 A ENDBRANCH 17 25 ENDBRANCH 11 18 BRANCH 15 29 ATOM 29 C LIG 1 -4.264 3.941 -0.337 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -3.557 4.845 -1.321 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -4.941 4.354 -1.626 0.00 0.00 +0.010 C ENDBRANCH 15 29 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 2.993 3.326 -0.683 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.151 3.831 -1.627 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.728 4.016 0.460 0.00 0.00 -0.166 F ATOM 35 F LIG 1 4.245 3.698 -1.066 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.037 -1.305 -0.264 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 5.890 -0.980 0.875 0.00 0.00 -0.309 NA ATOM 38 H LIG 1 5.362 -1.130 1.742 0.00 0.00 +0.122 HD BRANCH 37 39 ATOM 39 C LIG 1 7.059 -1.871 0.932 0.00 0.00 +0.116 C BRANCH 39 40 ATOM 40 C LIG 1 7.801 -1.679 2.271 0.00 0.00 +0.078 C ATOM 41 C LIG 1 8.694 -0.404 2.360 0.00 0.00 +0.036 C ATOM 42 C LIG 1 9.889 -1.265 1.910 0.00 0.00 +0.006 C ATOM 43 C LIG 1 9.114 -2.503 2.394 0.00 0.00 +0.036 C BRANCH 40 44 ATOM 44 O LIG 1 6.866 -1.864 3.366 0.00 0.00 -0.387 OA ATOM 45 H LIG 1 7.353 -1.610 4.167 0.00 0.00 +0.210 HD ENDBRANCH 40 44 ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 10