REMARK Name = BDB045698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.112 1.812 0.056 0.00 0.00 +0.158 A ATOM 2 C LIG 1 0.521 0.556 0.117 0.00 0.00 +0.040 A ATOM 3 C LIG 1 -0.309 -0.573 0.045 0.00 0.00 +0.059 A ATOM 4 N LIG 1 0.497 -1.681 0.122 0.00 0.00 -0.353 N ATOM 5 H LIG 1 0.172 -2.637 0.096 0.00 0.00 +0.166 HD ATOM 6 C LIG 1 1.818 -1.336 0.240 0.00 0.00 +0.061 A ATOM 7 C LIG 1 2.957 -2.151 0.346 0.00 0.00 +0.037 A ATOM 8 C LIG 1 4.204 -1.537 0.456 0.00 0.00 +0.016 A ATOM 9 C LIG 1 4.303 -0.151 0.461 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.156 0.648 0.355 0.00 0.00 +0.011 A ATOM 11 I LIG 1 2.822 -4.225 0.340 0.00 0.00 -0.042 I ATOM 12 C LIG 1 -1.715 -0.479 -0.082 0.00 0.00 +0.024 A ATOM 13 C LIG 1 -2.245 0.821 -0.134 0.00 0.00 +0.074 A ATOM 14 C LIG 1 -3.621 0.951 -0.259 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -4.463 -0.165 -0.331 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.927 -1.448 -0.279 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.550 -1.615 -0.154 0.00 0.00 +0.012 A ATOM 18 C LIG 1 1.875 0.060 0.241 0.00 0.00 +0.011 A ATOM 19 N LIG 1 -1.481 1.918 -0.068 0.00 0.00 -0.239 NA ENDROOT BRANCH 1 21 ATOM 20 O LIG 1 1.764 3.355 0.220 0.00 0.00 -0.243 OA ATOM 21 C LIG 1 0.575 3.135 0.114 0.00 0.00 +0.356 C BRANCH 21 22 ATOM 22 OXT LIG 1 -0.352 4.128 0.026 0.00 0.00 -0.476 OA ATOM 23 HXT LIG 1 -1.245 3.714 -0.053 0.00 0.00 +0.295 HD ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 2