REMARK Name = BDB045780 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.294 -0.254 -0.615 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.339 0.578 -0.062 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -0.671 1.411 0.405 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -1.129 -1.376 -1.076 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -4.243 2.108 -0.879 0.00 0.00 +0.121 A ATOM 6 C LIG 1 -5.287 1.237 -0.542 0.00 0.00 +0.054 A ATOM 7 C LIG 1 -5.046 -0.114 -0.251 0.00 0.00 -0.007 A ATOM 8 C LIG 1 -3.727 -0.580 -0.281 0.00 0.00 +0.022 A ATOM 9 C LIG 1 -2.677 0.291 -0.592 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -2.933 1.632 -0.907 0.00 0.00 +0.058 A BRANCH 7 11 ATOM 11 C LIG 1 -6.162 -1.020 0.077 0.00 0.00 +0.063 A ATOM 12 C LIG 1 -7.156 -0.702 1.151 0.00 0.00 +0.262 A ATOM 13 O LIG 1 -7.083 0.313 1.837 0.00 0.00 -0.267 OA ATOM 14 N LIG 1 -8.159 -1.615 1.339 0.00 0.00 -0.275 N ATOM 15 H LIG 1 -8.832 -1.418 2.062 0.00 0.00 +0.173 HD ATOM 16 C LIG 1 -8.311 -2.780 0.647 0.00 0.00 +0.327 A ATOM 17 O LIG 1 -9.225 -3.565 0.872 0.00 0.00 -0.247 OA ATOM 18 N LIG 1 -7.373 -3.017 -0.319 0.00 0.00 -0.314 N ATOM 19 H LIG 1 -7.485 -3.880 -0.840 0.00 0.00 +0.170 HD ATOM 20 C LIG 1 -6.339 -2.167 -0.598 0.00 0.00 +0.101 A ENDBRANCH 7 11 BRANCH 5 22 ATOM 21 C LIG 1 -3.631 4.311 -1.551 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -4.639 3.386 -1.163 0.00 0.00 -0.495 OA ENDBRANCH 5 22 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 1.051 0.350 0.015 0.00 0.00 +0.034 A ATOM 24 C LIG 1 1.697 -0.741 -0.565 0.00 0.00 +0.025 A ATOM 25 C LIG 1 3.087 -0.893 -0.451 0.00 0.00 +0.025 A ATOM 26 C LIG 1 3.850 0.044 0.242 0.00 0.00 +0.034 A ATOM 27 C LIG 1 3.204 1.139 0.821 0.00 0.00 +0.025 A ATOM 28 C LIG 1 1.818 1.292 0.707 0.00 0.00 +0.025 A BRANCH 26 29 ATOM 29 N LIG 1 5.243 -0.040 0.400 0.00 0.00 -0.280 N ATOM 30 H LIG 1 5.708 0.695 0.929 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 6.106 -1.010 -0.075 0.00 0.00 +0.267 C ATOM 32 O LIG 1 5.819 -1.999 -0.740 0.00 0.00 -0.268 OA BRANCH 31 33 ATOM 33 C LIG 1 7.534 -0.750 0.307 0.00 0.00 +0.126 A ATOM 34 N LIG 1 7.761 0.378 1.044 0.00 0.00 -0.250 NA ATOM 35 C LIG 1 9.044 0.615 1.391 0.00 0.00 +0.111 A ATOM 36 C LIG 1 10.105 -0.208 1.044 0.00 0.00 +0.020 A ATOM 37 C LIG 1 9.842 -1.350 0.292 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.533 -1.632 -0.086 0.00 0.00 +0.033 A ENDBRANCH 31 33 ENDBRANCH 26 29 ENDBRANCH 2 23 TORSDOF 6