REMARK Name = BDB050488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.379 -0.283 0.214 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.141 0.208 -0.993 0.00 0.00 +0.025 A ATOM 3 C LIG 1 1.272 -0.373 -1.574 0.00 0.00 +0.030 A ATOM 4 C LIG 1 1.894 -1.449 -0.939 0.00 0.00 +0.109 A ATOM 5 C LIG 1 1.377 -1.959 0.253 0.00 0.00 +0.030 A ATOM 6 C LIG 1 0.246 -1.370 0.830 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.222 0.065 1.882 0.00 0.00 +0.237 C ATOM 8 N LIG 1 -1.521 0.363 0.725 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -1.887 1.134 0.166 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -1.955 -0.812 2.699 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -3.426 0.985 2.096 0.00 0.00 +0.221 C BRANCH 11 16 ATOM 12 C LIG 1 -5.582 2.056 -2.292 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.581 1.219 -1.045 0.00 0.00 +0.103 A ATOM 14 C LIG 1 -4.419 1.424 -0.089 0.00 0.00 +0.273 A ATOM 15 O LIG 1 -3.489 2.155 -0.418 0.00 0.00 -0.266 OA ATOM 16 N LIG 1 -4.476 0.735 1.115 0.00 0.00 -0.296 N ATOM 17 C LIG 1 -5.488 -0.244 1.325 0.00 0.00 +0.071 A ATOM 18 C LIG 1 -6.492 -0.395 0.346 0.00 0.00 +0.088 A ATOM 19 C LIG 1 -7.500 -1.347 0.528 0.00 0.00 +0.030 A ATOM 20 C LIG 1 -7.522 -2.157 1.661 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.526 -2.022 2.622 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -5.513 -1.073 2.457 0.00 0.00 +0.028 A ATOM 23 N LIG 1 -6.539 0.373 -0.829 0.00 0.00 -0.245 NA ENDBRANCH 11 16 ENDBRANCH 7 11 ENDBRANCH 1 8 BRANCH 4 24 ATOM 24 S LIG 1 3.309 -2.216 -1.686 0.00 0.00 +0.076 S ATOM 25 O LIG 1 3.277 -1.888 -3.099 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 3.394 -3.591 -1.253 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 N LIG 1 4.573 -1.341 -1.068 0.00 0.00 -0.169 N ATOM 28 H LIG 1 5.144 -0.908 -1.782 0.00 0.00 +0.178 HD ATOM 29 C LIG 1 5.003 -1.368 0.249 0.00 0.00 +0.323 C ATOM 30 N LIG 1 6.104 -0.628 0.581 0.00 0.00 -0.268 N ATOM 31 H LIG 1 6.503 -0.934 1.460 0.00 0.00 +0.156 HD ATOM 32 O LIG 1 4.479 -2.070 1.104 0.00 0.00 -0.251 OA BRANCH 30 33 ATOM 33 C LIG 1 6.708 0.478 -0.041 0.00 0.00 +0.035 A ATOM 34 C LIG 1 6.062 1.298 -0.971 0.00 0.00 +0.023 A ATOM 35 C LIG 1 6.729 2.392 -1.532 0.00 0.00 +0.002 A ATOM 36 C LIG 1 8.037 2.684 -1.155 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.676 1.894 -0.204 0.00 0.00 +0.002 A ATOM 38 C LIG 1 8.010 0.802 0.358 0.00 0.00 +0.023 A ENDBRANCH 30 33 ENDBRANCH 24 27 ENDBRANCH 4 24 TORSDOF 6