REMARK Name = BDB027918 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.962 -0.011 0.667 0.00 0.00 -0.333 N ATOM 2 H LIG 1 -0.758 -0.417 1.585 0.00 0.00 +0.147 HD ENDROOT BRANCH 1 9 ATOM 3 O LIG 1 -5.067 -2.237 0.307 0.00 0.00 -0.275 OA ATOM 4 C LIG 1 -4.294 -1.286 0.373 0.00 0.00 +0.219 C ATOM 5 N LIG 1 -4.102 -0.618 1.554 0.00 0.00 -0.255 N ATOM 6 H LIG 1 -4.610 -0.989 2.346 0.00 0.00 +0.158 HD ATOM 7 C LIG 1 -3.084 0.253 1.855 0.00 0.00 +0.239 C ATOM 8 O LIG 1 -2.826 0.523 3.028 0.00 0.00 -0.273 OA ATOM 9 C LIG 1 -2.218 0.758 0.687 0.00 0.00 +0.158 C ATOM 10 C LIG 1 -2.988 0.598 -0.626 0.00 0.00 +0.041 C ATOM 11 C LIG 1 -3.467 -0.835 -0.804 0.00 0.00 +0.098 C ENDBRANCH 1 9 BRANCH 1 12 ATOM 12 C LIG 1 0.214 0.520 0.122 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.404 -0.211 0.301 0.00 0.00 +0.034 A ATOM 14 C LIG 1 2.629 0.198 -0.253 0.00 0.00 +0.021 A ATOM 15 C LIG 1 2.648 1.364 -1.026 0.00 0.00 +0.012 A ATOM 16 C LIG 1 1.476 2.087 -1.243 0.00 0.00 +0.002 A ATOM 17 C LIG 1 0.270 1.659 -0.683 0.00 0.00 +0.023 A BRANCH 14 18 ATOM 18 C LIG 1 3.840 -0.582 -0.031 0.00 0.00 +0.155 A ATOM 19 O LIG 1 5.004 -0.111 -0.586 0.00 0.00 -0.442 OA ATOM 20 C LIG 1 5.943 -1.024 -0.218 0.00 0.00 +0.308 A ATOM 21 N LIG 1 5.498 -2.022 0.511 0.00 0.00 -0.224 NA ATOM 22 C LIG 1 4.158 -1.748 0.635 0.00 0.00 +0.160 A ENDBRANCH 14 18 ENDBRANCH 1 12 TORSDOF 3