REMARK Name = BDB022758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.364 0.690 1.204 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.544 0.231 -0.135 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.471 0.779 -0.815 0.00 0.00 +0.122 A ATOM 4 N LIG 1 -0.283 1.446 0.103 0.00 0.00 -0.266 N ATOM 5 N LIG 1 0.244 1.419 1.342 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 2.574 -0.588 -0.758 0.00 0.00 +0.248 C ATOM 7 N LIG 1 3.292 -1.397 0.085 0.00 0.00 -0.306 N ATOM 8 H LIG 1 3.142 -1.362 1.088 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 2.764 -0.570 -1.972 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 4.453 -2.125 -0.367 0.00 0.00 +0.162 C BRANCH 10 11 ATOM 11 C LIG 1 5.658 -1.252 -0.228 0.00 0.00 +0.084 A ATOM 12 N LIG 1 6.276 -1.107 0.954 0.00 0.00 -0.172 NA ATOM 13 N LIG 1 7.284 -0.252 0.686 0.00 0.00 -0.236 N ATOM 14 C LIG 1 8.180 0.155 1.742 0.00 0.00 +0.176 C ATOM 15 C LIG 1 7.340 0.151 -0.624 0.00 0.00 +0.213 A ATOM 16 C LIG 1 6.281 -0.480 -1.239 0.00 0.00 +0.093 A BRANCH 15 17 ATOM 17 O LIG 1 8.290 0.997 -1.034 0.00 0.00 -0.480 OA ATOM 18 C LIG 1 8.255 1.335 -2.417 0.00 0.00 +0.279 C ENDBRANCH 15 17 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 19 ATOM 19 C LIG 1 2.246 0.464 2.394 0.00 0.00 +0.217 C BRANCH 19 21 ATOM 20 C LIG 1 1.251 -1.443 3.391 0.00 0.00 +0.194 C ATOM 21 O LIG 1 2.395 -0.930 2.713 0.00 0.00 -0.377 OA ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 4 22 ATOM 22 C LIG 1 -1.518 2.179 -0.152 0.00 0.00 +0.178 C BRANCH 22 23 ATOM 23 C LIG 1 -2.679 1.252 -0.418 0.00 0.00 -0.026 A ATOM 24 C LIG 1 -3.349 1.286 -1.648 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -4.428 0.433 -1.891 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.858 -0.473 -0.913 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -4.195 -0.501 0.321 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -3.119 0.355 0.567 0.00 0.00 +0.006 A BRANCH 26 29 ATOM 29 C LIG 1 -6.032 -1.388 -1.182 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 N LIG 1 -7.317 -0.716 -0.999 0.00 0.00 -0.311 N ATOM 31 C LIG 1 -7.960 -0.193 -2.120 0.00 0.00 +0.252 A ATOM 32 O LIG 1 -7.542 -0.266 -3.273 0.00 0.00 -0.268 OA ATOM 33 C LIG 1 -9.255 0.498 -1.865 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -9.735 0.597 -0.619 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -9.006 0.038 0.489 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -7.843 -0.588 0.277 0.00 0.00 +0.089 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10