REMARK Name = BDB003945 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.430 1.035 1.679 0.00 0.00 -0.347 N ATOM 2 C LIG 1 -0.047 -0.271 1.918 0.00 0.00 +0.050 A ATOM 3 C LIG 1 -1.169 -0.938 2.425 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -1.041 -2.306 2.752 0.00 0.00 +0.046 A ATOM 5 C LIG 1 0.190 -2.959 2.603 0.00 0.00 +0.014 A ATOM 6 C LIG 1 1.287 -2.271 2.095 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -2.224 0.016 2.498 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.186 -0.922 1.737 0.00 0.00 +0.026 A ATOM 9 C LIG 1 -1.744 1.214 2.026 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.184 -3.068 3.284 0.00 0.00 +0.247 C ATOM 11 N LIG 1 -3.239 -3.333 2.431 0.00 0.00 -0.296 N ATOM 12 C LIG 1 -4.379 -4.109 2.882 0.00 0.00 +0.124 C ATOM 13 C LIG 1 -5.402 -4.027 1.737 0.00 0.00 +0.064 C ATOM 14 C LIG 1 -6.207 -5.324 1.730 0.00 0.00 +0.227 C ATOM 15 O LIG 1 -5.852 -6.329 1.117 0.00 0.00 -0.275 OA ATOM 16 N LIG 1 -7.289 -5.390 2.561 0.00 0.00 -0.256 N ATOM 17 H LIG 1 -7.460 -6.385 2.689 0.00 0.00 +0.157 HD ATOM 18 C LIG 1 -8.482 -4.965 2.045 0.00 0.00 +0.219 C ATOM 19 O LIG 1 -9.398 -5.771 1.886 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 -8.675 -3.489 1.778 0.00 0.00 +0.096 C ATOM 21 C LIG 1 -7.540 -2.797 1.037 0.00 0.00 +0.010 C ATOM 22 C LIG 1 -6.264 -2.754 1.874 0.00 0.00 +0.018 C ATOM 23 C LIG 1 -4.464 -3.935 0.509 0.00 0.00 +0.036 C ATOM 24 C LIG 1 -3.279 -3.107 0.995 0.00 0.00 +0.109 C ATOM 25 O LIG 1 -2.142 -3.461 4.446 0.00 0.00 -0.270 OA ENDBRANCH 4 10 BRANCH 1 26 ATOM 26 C LIG 1 0.430 2.092 1.166 0.00 0.00 +0.122 C BRANCH 26 27 ATOM 27 C LIG 1 0.492 2.091 -0.360 0.00 0.00 +0.022 C BRANCH 27 28 ATOM 28 C LIG 1 1.289 3.266 -0.933 0.00 0.00 +0.002 C BRANCH 28 29 ATOM 29 C LIG 1 2.760 3.345 -0.508 0.00 0.00 +0.002 C BRANCH 29 30 ATOM 30 C LIG 1 3.577 2.116 -0.920 0.00 0.00 +0.019 C BRANCH 30 31 ATOM 31 C LIG 1 5.061 2.256 -0.572 0.00 0.00 +0.107 C BRANCH 31 33 ATOM 32 C LIG 1 6.120 3.146 -2.612 0.00 0.00 +0.401 C ATOM 33 N LIG 1 5.715 3.301 -1.321 0.00 0.00 -0.281 N ATOM 34 H LIG 1 5.811 4.231 -0.937 0.00 0.00 +0.152 HD ATOM 35 O LIG 1 6.024 2.115 -3.257 0.00 0.00 -0.226 OA BRANCH 32 36 ATOM 36 O LIG 1 6.628 4.321 -3.047 0.00 0.00 -0.445 OA BRANCH 36 38 ATOM 37 C LIG 1 6.021 4.235 -5.433 0.00 0.00 +0.055 C ATOM 38 C LIG 1 7.133 4.452 -4.401 0.00 0.00 +0.107 C ATOM 39 C LIG 1 7.615 5.907 -4.499 0.00 0.00 +0.055 C ATOM 40 C LIG 1 8.329 3.524 -4.644 0.00 0.00 +0.055 C ENDBRANCH 36 38 ENDBRANCH 32 36 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 10