REMARK Name = BDB047064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.773 0.426 4.436 0.00 0.00 +0.129 A ATOM 2 C LIG 1 1.042 0.091 3.098 0.00 0.00 +0.066 A ATOM 3 C LIG 1 0.460 0.354 1.815 0.00 0.00 +0.012 A ATOM 4 C LIG 1 1.207 -0.333 0.875 0.00 0.00 +0.097 A ATOM 5 N LIG 1 2.247 -0.935 1.529 0.00 0.00 -0.328 N ATOM 6 C LIG 1 2.143 -0.733 2.882 0.00 0.00 +0.147 A ATOM 7 N LIG 1 2.961 -1.237 3.823 0.00 0.00 -0.218 NA ATOM 8 C LIG 1 2.606 -0.843 5.054 0.00 0.00 +0.225 A ATOM 9 N LIG 1 1.574 -0.055 5.407 0.00 0.00 -0.220 NA ENDROOT BRANCH 3 10 ATOM 10 C LIG 1 -0.693 1.157 1.452 0.00 0.00 -0.012 A ATOM 11 C LIG 1 -1.755 0.595 0.735 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -2.872 1.363 0.388 0.00 0.00 +0.121 A ATOM 13 C LIG 1 -2.920 2.707 0.757 0.00 0.00 +0.045 A ATOM 14 C LIG 1 -1.862 3.276 1.470 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -0.752 2.506 1.816 0.00 0.00 +0.009 A BRANCH 12 16 ATOM 16 O LIG 1 -3.836 0.681 -0.301 0.00 0.00 -0.489 OA BRANCH 16 17 ATOM 17 C LIG 1 -5.028 1.395 -0.644 0.00 0.00 +0.264 C BRANCH 17 18 ATOM 18 C LIG 1 -6.005 0.469 -1.368 0.00 0.00 +0.104 C ATOM 19 O LIG 1 -5.573 0.101 -2.708 0.00 0.00 -0.367 OA ATOM 20 C LIG 1 -6.723 -0.708 -3.053 0.00 0.00 +0.119 C ATOM 21 C LIG 1 -7.864 0.289 -2.859 0.00 0.00 +0.034 C ATOM 22 C LIG 1 -6.720 -1.739 -1.926 0.00 0.00 +0.034 C ATOM 23 C LIG 1 -7.357 1.130 -1.683 0.00 0.00 +0.041 C ATOM 24 C LIG 1 -6.228 -0.914 -0.734 0.00 0.00 +0.041 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 3 10 BRANCH 5 25 ATOM 25 C LIG 1 3.262 -1.791 0.881 0.00 0.00 +0.089 C ATOM 26 C LIG 1 4.721 -1.492 1.320 0.00 0.00 +0.030 C ATOM 27 C LIG 1 5.138 -1.758 -0.153 0.00 0.00 +0.007 C ATOM 28 C LIG 1 3.699 -1.310 -0.529 0.00 0.00 +0.030 C BRANCH 27 29 ATOM 29 C LIG 1 6.323 -0.936 -0.660 0.00 0.00 +0.088 C BRANCH 29 30 ATOM 30 N LIG 1 6.627 -1.292 -2.058 0.00 0.00 -0.302 NA ATOM 31 C LIG 1 5.864 -0.458 -3.017 0.00 0.00 +0.085 C ATOM 32 C LIG 1 7.054 0.505 -3.115 0.00 0.00 +0.031 C ATOM 33 C LIG 1 7.879 -0.634 -2.505 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 5 25 BRANCH 1 34 ATOM 34 N LIG 1 -0.297 1.211 4.845 0.00 0.00 -0.343 N ATOM 35 H LIG 1 -0.472 1.082 5.834 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -1.105 1.166 4.237 0.00 0.00 +0.144 HD ENDBRANCH 1 34 TORSDOF 8