REMARK Name = BDB013660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.965 -0.310 0.556 0.00 0.00 +0.166 A ATOM 2 C LIG 1 -2.169 -1.131 0.255 0.00 0.00 +0.117 A ATOM 3 C LIG 1 -3.312 -0.498 -0.168 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -4.432 -1.283 -0.444 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -4.347 -2.666 -0.286 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -3.144 -3.213 0.140 0.00 0.00 +0.111 A ATOM 7 C LIG 1 -3.310 0.958 -0.322 0.00 0.00 +0.276 A ATOM 8 O LIG 1 -4.346 1.517 -0.675 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -2.108 1.606 -0.057 0.00 0.00 -0.230 N ATOM 10 C LIG 1 -2.021 3.051 -0.166 0.00 0.00 +0.176 C ATOM 11 N LIG 1 -2.042 -2.482 0.415 0.00 0.00 -0.251 NA ATOM 12 N LIG 1 -0.970 0.981 0.395 0.00 0.00 -0.151 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 0.148 -0.994 1.012 0.00 0.00 -0.322 N ATOM 14 H LIG 1 0.060 -2.007 0.930 0.00 0.00 +0.148 HD BRANCH 13 16 ATOM 15 C LIG 1 1.666 0.668 1.994 0.00 0.00 +0.029 C ATOM 16 C LIG 1 1.522 -0.491 1.012 0.00 0.00 +0.083 C BRANCH 16 17 ATOM 17 C LIG 1 1.999 -0.186 -0.438 0.00 0.00 +0.105 C BRANCH 17 18 ATOM 18 N LIG 1 3.413 0.130 -0.713 0.00 0.00 -0.307 NA ATOM 19 C LIG 1 4.355 -0.777 -0.074 0.00 0.00 +0.104 C ATOM 20 C LIG 1 3.754 1.527 -0.476 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 TORSDOF 4