REMARK Name = BDB039320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.787 0.297 0.436 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -5.449 -0.228 -0.799 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -6.152 -0.374 -1.777 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -4.019 -0.554 -0.746 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -3.526 -0.139 0.489 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.190 -0.317 0.804 0.00 0.00 +0.016 A ATOM 7 C LIG 1 -1.356 -0.929 -0.149 0.00 0.00 -0.001 A ATOM 8 C LIG 1 -1.877 -1.339 -1.398 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -3.226 -1.150 -1.707 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.620 0.488 1.286 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -10.015 1.451 -2.127 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -9.155 1.251 -1.272 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -8.315 2.262 -0.885 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -8.414 3.124 -1.402 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -7.258 2.205 -0.014 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -6.477 3.152 0.088 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -7.069 0.907 0.772 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -8.279 -0.022 0.721 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -8.958 -0.100 -0.635 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 0.069 -1.131 0.152 0.00 0.00 +0.055 A ATOM 21 N LIG 1 0.527 -2.198 0.935 0.00 0.00 -0.299 N ATOM 22 C LIG 1 1.865 -2.393 1.240 0.00 0.00 +0.066 A ATOM 23 C LIG 1 1.905 -3.523 2.022 0.00 0.00 +0.138 A ATOM 24 N LIG 1 0.645 -4.034 2.208 0.00 0.00 -0.243 NA ATOM 25 C LIG 1 2.816 -1.469 0.727 0.00 0.00 +0.032 A ATOM 26 C LIG 1 2.413 -0.427 -0.036 0.00 0.00 -0.029 A ATOM 27 C LIG 1 -0.154 -3.227 1.543 0.00 0.00 +0.204 A ATOM 28 C LIG 1 0.978 -0.258 -0.330 0.00 0.00 +0.031 A BRANCH 26 29 ATOM 29 C LIG 1 3.302 0.643 -0.656 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 4.737 0.688 -0.391 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 5.523 -0.353 -1.048 0.00 0.00 +0.085 C ATOM 32 C LIG 1 6.955 -0.449 -0.506 0.00 0.00 +0.027 C ATOM 33 C LIG 1 7.431 0.935 -0.082 0.00 0.00 +0.020 C ATOM 34 C LIG 1 8.947 1.080 0.154 0.00 0.00 +0.169 C ATOM 35 O LIG 1 9.023 2.201 -0.759 0.00 0.00 -0.379 OA ATOM 36 C LIG 1 7.689 1.917 -1.248 0.00 0.00 +0.169 C ATOM 37 C LIG 1 6.569 1.508 1.052 0.00 0.00 +0.027 C ATOM 38 C LIG 1 5.122 0.996 0.977 0.00 0.00 +0.085 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 7 20 TORSDOF 4