REMARK Name = BDB062430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.297 -1.424 1.110 0.00 0.00 -0.295 NA ATOM 2 C LIG 1 -0.170 -0.766 -0.130 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -1.527 -0.027 -0.034 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -2.593 -0.913 0.466 0.00 0.00 -0.327 N ATOM 5 C LIG 1 -2.151 -2.111 1.199 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.844 -1.812 1.969 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.907 -0.750 0.058 0.00 0.00 +0.030 A ATOM 8 C LIG 1 -4.395 0.499 -0.362 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -5.725 0.685 -0.768 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -6.616 -0.388 -0.754 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -6.156 -1.643 -0.355 0.00 0.00 +0.015 A ATOM 12 C LIG 1 -4.825 -1.812 0.051 0.00 0.00 +0.024 A BRANCH 10 13 ATOM 13 C LIG 1 -8.037 -0.249 -1.175 0.00 0.00 +0.244 C ATOM 14 N LIG 1 -8.605 0.999 -1.011 0.00 0.00 -0.314 N ATOM 15 H LIG 1 -8.138 1.665 -0.410 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -10.008 1.202 -1.272 0.00 0.00 +0.128 C ATOM 17 O LIG 1 -8.651 -1.219 -1.606 0.00 0.00 -0.270 OA ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 18 ATOM 18 C LIG 1 1.248 -0.602 1.873 0.00 0.00 +0.119 C BRANCH 18 28 ATOM 19 C LIG 1 6.971 1.193 -0.801 0.00 0.00 +0.017 A ATOM 20 C LIG 1 6.222 2.402 -0.333 0.00 0.00 +0.252 A ATOM 21 O LIG 1 6.672 3.536 -0.466 0.00 0.00 -0.268 OA ATOM 22 N LIG 1 5.003 2.192 0.255 0.00 0.00 -0.322 N ATOM 23 H LIG 1 4.519 3.022 0.565 0.00 0.00 +0.169 HD ATOM 24 C LIG 1 4.428 0.928 0.423 0.00 0.00 +0.049 A ATOM 25 C LIG 1 5.121 -0.202 -0.024 0.00 0.00 -0.001 A ATOM 26 C LIG 1 4.552 -1.465 0.144 0.00 0.00 +0.010 A ATOM 27 C LIG 1 3.300 -1.591 0.753 0.00 0.00 +0.005 A ATOM 28 C LIG 1 2.596 -0.458 1.195 0.00 0.00 -0.031 A ATOM 29 C LIG 1 3.178 0.808 1.032 0.00 0.00 +0.031 A ATOM 30 C LIG 1 6.428 -0.029 -0.657 0.00 0.00 +0.019 A BRANCH 19 32 ATOM 31 C LIG 1 9.408 1.694 -0.444 0.00 0.00 +0.009 C ATOM 32 C LIG 1 8.305 1.423 -1.458 0.00 0.00 +0.037 C ENDBRANCH 19 32 ENDBRANCH 18 28 ENDBRANCH 1 18 TORSDOF 5