REMARK Name = BDB006328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.030 -0.295 -1.424 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.701 0.134 -0.129 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.519 -0.336 0.489 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.085 -0.099 1.763 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.252 -0.847 1.813 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.382 -1.508 0.606 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -2.253 -0.959 2.913 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.438 0.783 2.843 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.306 -1.215 -0.216 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.003 -1.636 -1.521 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.178 -1.160 -2.112 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.328 0.504 -1.298 0.00 0.00 -0.305 N ATOM 13 H LIG 1 4.301 0.233 -0.324 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 3.266 0.172 -2.111 0.00 0.00 +0.245 C ATOM 15 O LIG 1 3.314 0.211 -3.335 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.617 0.893 -1.846 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.582 2.316 -2.413 0.00 0.00 +0.033 C BRANCH 16 21 ATOM 18 C LIG 1 8.667 0.344 1.197 0.00 0.00 +0.120 A ATOM 19 C LIG 1 7.739 1.380 1.312 0.00 0.00 +0.046 A ATOM 20 C LIG 1 6.757 1.571 0.336 0.00 0.00 +0.009 A ATOM 21 C LIG 1 6.689 0.727 -0.782 0.00 0.00 -0.027 A ATOM 22 C LIG 1 7.620 -0.318 -0.884 0.00 0.00 +0.009 A ATOM 23 C LIG 1 8.603 -0.506 0.095 0.00 0.00 +0.046 A BRANCH 18 25 ATOM 24 C LIG 1 10.551 -0.757 2.139 0.00 0.00 +0.277 C ATOM 25 O LIG 1 9.571 0.270 2.220 0.00 0.00 -0.495 OA ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -2.467 -2.427 0.256 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.758 -1.718 -0.082 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.951 -2.102 0.545 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -6.158 -1.469 0.230 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -6.206 -0.443 -0.725 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -5.014 -0.074 -1.363 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.806 -0.704 -1.049 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -7.477 0.219 -1.056 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -8.178 1.042 -0.152 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -9.429 1.583 -0.487 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.983 1.339 -1.742 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.295 0.550 -2.659 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.058 -0.006 -2.319 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -7.655 1.371 1.187 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -8.258 1.245 2.236 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -6.436 1.929 1.118 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -6.192 2.113 2.047 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 9