REMARK Name = BDB039429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.068 -4.138 -0.330 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.294 -2.991 0.005 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -3.219 -2.027 0.361 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.854 -0.737 0.756 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.466 -0.525 0.772 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.570 -1.538 0.398 0.00 0.00 +0.072 A ATOM 7 N LIG 1 -4.437 -2.635 0.216 0.00 0.00 -0.273 N ATOM 8 H LIG 1 -5.345 -2.204 0.358 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 -0.954 -2.780 0.020 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 -4.375 -3.922 -0.178 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.892 -1.319 0.408 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.462 -0.130 -0.099 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.839 0.029 -0.067 0.00 0.00 -0.017 A ATOM 14 C LIG 1 3.676 1.175 -0.523 0.00 0.00 +0.144 C ATOM 15 N LIG 1 5.032 0.697 -0.289 0.00 0.00 -0.282 N ATOM 16 C LIG 1 5.044 -0.520 0.371 0.00 0.00 +0.248 C ATOM 17 O LIG 1 5.993 -1.116 0.838 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.651 -0.969 0.460 0.00 0.00 +0.042 A ATOM 19 C LIG 1 3.146 -2.149 0.965 0.00 0.00 +0.014 A ATOM 20 C LIG 1 1.758 -2.318 0.928 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 6.180 1.581 -0.454 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.603 2.155 0.898 0.00 0.00 +0.240 C ATOM 23 O LIG 1 5.845 2.842 1.584 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 7.857 1.837 1.350 0.00 0.00 -0.255 N ATOM 25 H LIG 1 8.113 2.221 2.249 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 8.763 0.963 0.809 0.00 0.00 +0.219 C ATOM 27 O LIG 1 9.839 0.757 1.368 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 8.374 0.256 -0.464 0.00 0.00 +0.098 C ATOM 29 C LIG 1 7.340 1.019 -1.272 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 -2.551 -5.311 -0.733 0.00 0.00 -0.340 N ATOM 31 H LIG 1 -1.570 -5.489 -0.546 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -3.150 -6.123 -0.653 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 -3.825 0.321 1.221 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -5.100 0.309 0.479 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -6.150 1.066 1.186 0.00 0.00 +0.087 C ATOM 36 C LIG 1 -6.310 2.504 0.696 0.00 0.00 +0.046 C ATOM 37 C LIG 1 -6.664 2.541 -0.791 0.00 0.00 +0.117 C ATOM 38 C LIG 1 -6.204 1.286 -1.532 0.00 0.00 +0.046 C ATOM 39 C LIG 1 -4.915 0.749 -0.920 0.00 0.00 +0.087 C BRANCH 37 40 ATOM 40 O LIG 1 -8.074 2.668 -0.961 0.00 0.00 -0.392 OA ATOM 41 H LIG 1 -8.344 3.524 -0.585 0.00 0.00 +0.210 HD ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 6