REMARK Name = BDB020450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.446 -1.194 1.443 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.065 -1.029 1.318 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.188 -1.226 2.043 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -2.183 -0.723 1.054 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.571 -0.219 -0.241 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -2.010 -1.054 -1.448 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.797 1.285 -0.434 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -3.499 -0.801 1.441 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -4.428 -0.364 0.554 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -4.165 0.091 -0.303 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.824 -1.259 2.537 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -0.147 -0.488 0.086 0.00 0.00 +0.068 A ATOM 13 N LIG 1 1.062 -0.350 -0.494 0.00 0.00 -0.267 N ATOM 14 C LIG 1 1.411 0.175 -1.789 0.00 0.00 +0.172 C ATOM 15 N LIG 1 2.054 -0.793 0.317 0.00 0.00 -0.156 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.410 -1.939 2.766 0.00 0.00 +0.249 C ATOM 17 N LIG 1 2.072 -1.723 2.548 0.00 0.00 -0.265 N ATOM 18 H LIG 1 1.477 -2.144 3.245 0.00 0.00 +0.157 HD ATOM 19 O LIG 1 3.763 -2.685 3.682 0.00 0.00 -0.270 OA BRANCH 16 23 ATOM 20 C LIG 1 6.562 -0.047 0.559 0.00 0.00 +0.034 A ATOM 21 C LIG 1 6.534 -1.438 0.732 0.00 0.00 +0.024 A ATOM 22 C LIG 1 5.495 -2.050 1.440 0.00 0.00 +0.015 A ATOM 23 C LIG 1 4.462 -1.273 1.967 0.00 0.00 +0.037 A ATOM 24 C LIG 1 4.497 0.117 1.828 0.00 0.00 +0.015 A ATOM 25 C LIG 1 5.537 0.725 1.115 0.00 0.00 +0.024 A BRANCH 20 27 ATOM 26 C LIG 1 7.894 1.812 -0.449 0.00 0.00 +0.241 C ATOM 27 N LIG 1 7.641 0.487 -0.175 0.00 0.00 -0.282 N ATOM 28 H LIG 1 8.323 -0.183 -0.499 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 7.265 2.791 -0.067 0.00 0.00 -0.271 OA BRANCH 26 31 ATOM 30 C LIG 1 9.566 1.232 -2.234 0.00 0.00 +0.013 C ATOM 31 C LIG 1 9.123 2.039 -1.261 0.00 0.00 +0.060 C ENDBRANCH 26 31 ENDBRANCH 20 27 ENDBRANCH 16 23 ENDBRANCH 1 17 BRANCH 9 32 ATOM 32 C LIG 1 -5.861 -0.355 0.818 0.00 0.00 +0.085 C ATOM 33 C LIG 1 -6.247 0.751 1.800 0.00 0.00 +0.029 C BRANCH 32 34 ATOM 34 C LIG 1 -6.636 -0.283 -0.527 0.00 0.00 +0.105 C BRANCH 34 35 ATOM 35 N LIG 1 -6.013 0.551 -1.591 0.00 0.00 -0.307 NA ATOM 36 C LIG 1 -6.628 0.222 -2.884 0.00 0.00 +0.104 C ATOM 37 C LIG 1 -6.172 1.984 -1.336 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 9 32 TORSDOF 7