REMARK Name = BDB039368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.386 -1.086 0.046 0.00 0.00 +0.001 A ATOM 2 C LIG 1 0.886 0.229 0.180 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.257 0.438 0.195 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.025 1.712 0.300 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.406 1.250 0.335 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.503 -0.112 0.112 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.504 -0.779 -0.057 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.133 -0.635 0.073 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.700 -1.935 -0.074 0.00 0.00 +0.014 A ATOM 10 C LIG 1 1.318 -2.151 -0.087 0.00 0.00 +0.011 A ENDROOT BRANCH 1 16 ATOM 11 N LIG 1 -3.393 -3.509 -1.646 0.00 0.00 -0.332 N ATOM 12 C LIG 1 -2.775 -2.575 -0.852 0.00 0.00 +0.142 A ATOM 13 C LIG 1 -3.759 -1.926 -0.112 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -3.350 -0.914 0.779 0.00 0.00 -0.021 A ATOM 15 C LIG 1 -1.966 -0.654 0.828 0.00 0.00 +0.034 A ATOM 16 C LIG 1 -1.068 -1.363 0.025 0.00 0.00 +0.074 A ATOM 17 C LIG 1 -5.003 -2.508 -0.489 0.00 0.00 +0.029 A ATOM 18 N LIG 1 -1.448 -2.347 -0.822 0.00 0.00 -0.229 NA ATOM 19 C LIG 1 -4.748 -3.480 -1.432 0.00 0.00 +0.088 A BRANCH 11 21 ATOM 20 C LIG 1 -2.468 -3.756 -3.919 0.00 0.00 +0.027 C ATOM 21 C LIG 1 -2.709 -4.400 -2.564 0.00 0.00 +0.120 C ENDBRANCH 11 21 BRANCH 14 22 ATOM 22 C LIG 1 -4.294 -0.125 1.658 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 -4.226 1.319 1.408 0.00 0.00 -0.298 NA ATOM 24 C LIG 1 -4.753 1.696 0.093 0.00 0.00 +0.085 C ATOM 25 C LIG 1 -4.971 3.197 0.224 0.00 0.00 +0.017 C ATOM 26 C LIG 1 -5.131 3.449 1.719 0.00 0.00 +0.017 C ATOM 27 C LIG 1 -5.038 2.075 2.363 0.00 0.00 +0.085 C ENDBRANCH 22 23 ENDBRANCH 14 22 ENDBRANCH 1 16 BRANCH 5 28 ATOM 28 C LIG 1 5.516 2.196 0.301 0.00 0.00 +0.163 C ATOM 29 C LIG 1 6.086 2.295 -1.113 0.00 0.00 +0.240 C ATOM 30 O LIG 1 5.415 2.698 -2.064 0.00 0.00 -0.273 OA ATOM 31 N LIG 1 7.376 1.868 -1.300 0.00 0.00 -0.255 N ATOM 32 H LIG 1 7.728 1.929 -2.245 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 8.217 1.270 -0.399 0.00 0.00 +0.219 C ATOM 34 O LIG 1 9.347 0.922 -0.737 0.00 0.00 -0.275 OA ATOM 35 C LIG 1 7.694 1.041 0.996 0.00 0.00 +0.098 C ATOM 36 C LIG 1 6.583 2.003 1.376 0.00 0.00 +0.041 C ENDBRANCH 5 28 TORSDOF 5