REMARK Name = BDB022747 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.127 -0.669 -0.987 0.00 0.00 +0.101 A ATOM 2 C LIG 1 -0.367 -1.073 0.291 0.00 0.00 +0.080 A ATOM 3 C LIG 1 0.495 -2.089 0.664 0.00 0.00 +0.122 A ATOM 4 N LIG 1 1.401 -2.237 -0.341 0.00 0.00 -0.266 N ATOM 5 N LIG 1 1.172 -1.415 -1.382 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -1.474 -0.614 1.121 0.00 0.00 +0.248 C ATOM 7 N LIG 1 -2.400 0.192 0.515 0.00 0.00 -0.306 N ATOM 8 H LIG 1 -2.312 0.443 -0.466 0.00 0.00 +0.149 HD ATOM 9 O LIG 1 -1.584 -0.962 2.295 0.00 0.00 -0.270 OA BRANCH 7 10 ATOM 10 C LIG 1 -3.528 0.727 1.243 0.00 0.00 +0.160 C BRANCH 10 11 ATOM 11 C LIG 1 -4.597 1.265 0.316 0.00 0.00 +0.065 A ATOM 12 C LIG 1 -5.498 0.420 -0.348 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -5.442 -1.072 -0.171 0.00 0.00 +0.049 C ATOM 14 C LIG 1 -6.446 1.029 -1.184 0.00 0.00 +0.129 A ATOM 15 C LIG 1 -6.425 2.406 -1.421 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -7.380 3.078 -2.356 0.00 0.00 +0.049 C ATOM 17 C LIG 1 -5.486 3.143 -0.720 0.00 0.00 +0.118 A ATOM 18 N LIG 1 -4.590 2.613 0.138 0.00 0.00 -0.258 NA BRANCH 14 19 ATOM 19 O LIG 1 -7.374 0.262 -1.847 0.00 0.00 -0.494 OA ATOM 20 C LIG 1 -8.543 0.096 -1.039 0.00 0.00 +0.277 C ENDBRANCH 14 19 ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 2 6 BRANCH 1 21 ATOM 21 C LIG 1 -0.352 0.438 -1.877 0.00 0.00 +0.217 C BRANCH 21 23 ATOM 22 C LIG 1 -2.044 -0.604 -3.171 0.00 0.00 +0.194 C ATOM 23 O LIG 1 -1.758 0.360 -2.161 0.00 0.00 -0.377 OA ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 4 24 ATOM 24 C LIG 1 2.494 -3.199 -0.390 0.00 0.00 +0.178 C BRANCH 24 25 ATOM 25 C LIG 1 3.736 -2.659 0.273 0.00 0.00 -0.026 A ATOM 26 C LIG 1 4.008 -2.931 1.621 0.00 0.00 +0.006 A ATOM 27 C LIG 1 5.151 -2.410 2.234 0.00 0.00 +0.006 A ATOM 28 C LIG 1 6.042 -1.604 1.513 0.00 0.00 -0.028 A ATOM 29 C LIG 1 5.771 -1.335 0.164 0.00 0.00 +0.006 A ATOM 30 C LIG 1 4.626 -1.851 -0.447 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 7.278 -1.034 2.175 0.00 0.00 +0.160 C BRANCH 31 32 ATOM 32 N LIG 1 7.267 0.428 2.236 0.00 0.00 -0.311 N ATOM 33 C LIG 1 8.081 1.140 1.355 0.00 0.00 +0.252 A ATOM 34 O LIG 1 8.831 0.635 0.523 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 8.011 2.624 1.456 0.00 0.00 +0.070 A ATOM 36 C LIG 1 7.193 3.203 2.344 0.00 0.00 +0.007 A ATOM 37 C LIG 1 6.373 2.400 3.213 0.00 0.00 +0.018 A ATOM 38 C LIG 1 6.429 1.064 3.139 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 10