REMARK Name = BDB051004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.271 -0.171 -0.344 0.00 0.00 +0.037 A ATOM 2 C LIG 1 5.736 -1.236 0.395 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.436 -1.139 0.870 0.00 0.00 -0.040 A ATOM 4 C LIG 1 3.662 -2.166 1.640 0.00 0.00 +0.038 C ATOM 5 C LIG 1 2.505 -1.325 2.206 0.00 0.00 +0.045 C ATOM 6 C LIG 1 2.286 -0.181 1.203 0.00 0.00 +0.138 C ATOM 7 C LIG 1 1.182 -0.508 0.189 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.161 -1.458 -0.584 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 0.209 0.446 0.313 0.00 0.00 -0.215 N ATOM 10 C LIG 1 0.526 1.340 1.288 0.00 0.00 +0.310 C ATOM 11 O LIG 1 -0.137 2.294 1.659 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 1.757 1.011 1.803 0.00 0.00 -0.281 N ATOM 13 H LIG 1 2.193 1.553 2.535 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 3.652 -0.011 0.609 0.00 0.00 -0.012 A ATOM 15 C LIG 1 4.164 1.046 -0.125 0.00 0.00 +0.008 A ATOM 16 C LIG 1 5.480 0.963 -0.596 0.00 0.00 +0.024 A ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 8.343 0.566 -1.526 0.00 0.00 +0.404 C ATOM 18 N LIG 1 7.593 -0.312 -0.798 0.00 0.00 -0.251 N ATOM 19 H LIG 1 8.083 -1.166 -0.575 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 8.026 1.671 -1.939 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 10.462 0.812 -2.492 0.00 0.00 +0.282 C ATOM 22 O LIG 1 9.563 -0.001 -1.735 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 1 18 BRANCH 9 23 ATOM 23 C LIG 1 -1.059 0.409 -0.377 0.00 0.00 +0.213 C BRANCH 23 24 ATOM 24 C LIG 1 -2.048 -0.455 0.420 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.342 -0.598 -0.094 0.00 0.00 -0.293 N ATOM 26 O LIG 1 -1.706 -0.987 1.482 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 C LIG 1 -3.725 -0.151 -1.450 0.00 0.00 +0.076 C ATOM 28 C LIG 1 -3.563 -1.282 -2.469 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -5.117 0.426 -1.500 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -5.399 1.786 -0.910 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.424 1.600 -2.400 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 BRANCH 25 32 ATOM 32 C LIG 1 -4.274 -1.440 0.670 0.00 0.00 +0.143 C BRANCH 32 33 ATOM 33 C LIG 1 -5.228 -0.659 1.548 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -6.610 -0.893 1.472 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -7.499 -0.189 2.287 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.017 0.751 3.195 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.647 0.981 3.295 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.758 0.277 2.481 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 25 32 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 8