REMARK Name = BDB057718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.059 1.129 3.231 0.00 0.00 +0.160 A ATOM 2 C LIG 1 0.387 1.036 3.198 0.00 0.00 +0.178 A ATOM 3 N LIG 1 1.008 0.688 2.029 0.00 0.00 -0.295 N ATOM 4 C LIG 1 2.366 0.668 2.285 0.00 0.00 +0.075 A ATOM 5 C LIG 1 2.461 1.026 3.622 0.00 0.00 +0.140 A ATOM 6 C LIG 1 0.254 0.447 0.893 0.00 0.00 +0.117 A ATOM 7 C LIG 1 -1.090 0.538 0.972 0.00 0.00 +0.063 A ATOM 8 N LIG 1 1.229 1.236 4.189 0.00 0.00 -0.232 NA ATOM 9 N LIG 1 -1.754 0.870 2.148 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.969 0.281 -0.242 0.00 0.00 +0.043 C ATOM 11 C LIG 1 -2.910 -0.936 -0.025 0.00 0.00 +0.032 C ATOM 12 C LIG 1 -4.017 -1.004 -1.095 0.00 0.00 +0.077 C ATOM 13 N LIG 1 -4.741 0.258 -1.060 0.00 0.00 -0.289 N ATOM 14 C LIG 1 -3.868 1.237 -1.680 0.00 0.00 +0.077 C ATOM 15 C LIG 1 -3.344 0.483 -2.906 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -5.756 0.654 -0.197 0.00 0.00 +0.284 C ATOM 17 O LIG 1 -6.102 1.838 -0.149 0.00 0.00 -0.267 OA ATOM 18 C LIG 1 -3.434 -1.002 -2.517 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -2.742 1.556 -0.675 0.00 0.00 +0.032 C BRANCH 16 20 ATOM 20 C LIG 1 -6.423 -0.319 0.644 0.00 0.00 +0.217 A ATOM 21 N LIG 1 -7.438 0.009 1.507 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -7.812 0.938 1.636 0.00 0.00 +0.168 HD ATOM 23 C LIG 1 -7.808 -1.143 2.124 0.00 0.00 +0.222 A ATOM 24 N LIG 1 -7.072 -2.132 1.678 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -6.200 -1.615 0.746 0.00 0.00 -0.125 NA ENDBRANCH 16 20 ENDBRANCH 7 10 BRANCH 4 26 ATOM 26 C LIG 1 3.408 0.351 1.320 0.00 0.00 +0.018 A ATOM 27 C LIG 1 3.436 -0.855 0.633 0.00 0.00 +0.121 A ATOM 28 N LIG 1 4.375 -1.193 -0.283 0.00 0.00 -0.254 NA ATOM 29 C LIG 1 5.375 -0.307 -0.530 0.00 0.00 +0.071 A ATOM 30 C LIG 1 5.425 0.924 0.125 0.00 0.00 +0.029 A ATOM 31 C LIG 1 4.438 1.252 1.057 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 C LIG 1 6.377 -0.730 -1.532 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.019 -1.591 -2.587 0.00 0.00 +0.010 A ATOM 34 C LIG 1 6.948 -1.998 -3.549 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.264 -1.556 -3.475 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.652 -0.713 -2.438 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.719 -0.307 -1.477 0.00 0.00 +0.010 A ENDBRANCH 29 32 ENDBRANCH 4 26 BRANCH 1 38 ATOM 38 N LIG 1 -1.744 1.458 4.370 0.00 0.00 -0.340 N ATOM 39 H LIG 1 -1.228 1.278 5.226 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -2.696 1.116 4.367 0.00 0.00 +0.144 HD ENDBRANCH 1 38 TORSDOF 5