REMARK Name = BDB064197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.504 0.396 -1.663 0.00 0.00 +0.164 A ATOM 2 N LIG 1 -0.386 -0.347 -1.743 0.00 0.00 -0.227 NA ATOM 3 C LIG 1 0.541 -0.157 -0.799 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.387 0.771 0.234 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.421 0.915 1.187 0.00 0.00 +0.015 A ATOM 6 C LIG 1 2.578 0.134 1.116 0.00 0.00 +0.024 A ATOM 7 C LIG 1 2.745 -0.808 0.100 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.812 1.505 0.221 0.00 0.00 +0.136 A ATOM 9 C LIG 1 1.705 -0.920 -0.841 0.00 0.00 +0.051 A ATOM 10 N LIG 1 -1.746 1.318 -0.726 0.00 0.00 -0.212 NA ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 3.877 -1.621 -0.023 0.00 0.00 -0.327 N ATOM 12 C LIG 1 5.146 -1.255 0.639 0.00 0.00 +0.120 C ATOM 13 C LIG 1 5.416 -2.146 1.871 0.00 0.00 +0.103 C ATOM 14 N LIG 1 5.466 -3.599 1.589 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 6.830 -4.117 1.635 0.00 0.00 +0.105 C ATOM 16 C LIG 1 4.832 -3.921 0.290 0.00 0.00 +0.103 C ATOM 17 C LIG 1 3.571 -3.076 -0.005 0.00 0.00 +0.120 C ENDBRANCH 7 11 BRANCH 1 19 ATOM 18 C LIG 1 -3.927 0.065 -2.388 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -2.544 0.161 -2.674 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -2.149 0.143 -4.032 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -3.079 0.097 -5.071 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -4.434 0.085 -4.777 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.854 0.079 -3.447 0.00 0.00 +0.024 A BRANCH 18 25 ATOM 24 C LIG 1 -4.088 -0.601 0.059 0.00 0.00 +0.241 C ATOM 25 N LIG 1 -4.509 -0.017 -1.103 0.00 0.00 -0.281 N ATOM 26 H LIG 1 -5.408 0.434 -0.987 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 -4.658 -0.343 1.119 0.00 0.00 -0.271 OA BRANCH 24 29 ATOM 28 C LIG 1 -2.446 -2.100 1.102 0.00 0.00 +0.013 C ATOM 29 C LIG 1 -3.049 -1.661 -0.011 0.00 0.00 +0.060 C ENDBRANCH 24 29 ENDBRANCH 18 25 ENDBRANCH 1 19 BRANCH 8 30 ATOM 30 N LIG 1 -1.077 2.417 1.275 0.00 0.00 -0.282 N ATOM 31 H LIG 1 -1.063 1.905 2.148 0.00 0.00 +0.155 HD BRANCH 30 32 ATOM 32 C LIG 1 -1.900 3.489 1.210 0.00 0.00 +0.146 A ATOM 33 N LIG 1 -2.075 4.308 0.170 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 -2.971 5.206 0.593 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -3.279 5.915 -0.063 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 -3.343 5.040 1.897 0.00 0.00 +0.035 A ATOM 37 C LIG 1 -4.306 5.936 2.569 0.00 0.00 +0.065 C ATOM 38 C LIG 1 -2.652 3.929 2.328 0.00 0.00 +0.068 A ENDBRANCH 30 32 ENDBRANCH 8 30 TORSDOF 6