REMARK Name = BDB004903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.508 -0.712 -1.357 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.689 0.008 -1.335 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.734 -0.301 -2.224 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -1.572 -1.357 -3.129 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -0.379 -2.074 -3.164 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.656 -1.750 -2.285 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.643 0.443 0.554 0.00 0.00 +0.248 C ATOM 8 N LIG 1 1.598 -0.454 -0.499 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.407 -1.045 -0.633 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 0.714 1.118 0.982 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 5.388 0.497 1.231 0.00 0.00 +0.121 A ATOM 12 C LIG 1 4.169 0.409 0.552 0.00 0.00 +0.058 A ATOM 13 C LIG 1 2.959 0.533 1.247 0.00 0.00 +0.040 A ATOM 14 C LIG 1 2.974 0.777 2.624 0.00 0.00 +0.013 A ATOM 15 C LIG 1 4.189 0.865 3.303 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.394 0.720 2.609 0.00 0.00 +0.046 A BRANCH 11 17 ATOM 17 O LIG 1 6.491 0.350 0.435 0.00 0.00 -0.491 OA BRANCH 17 18 ATOM 18 C LIG 1 7.771 0.470 1.067 0.00 0.00 +0.244 C BRANCH 18 19 ATOM 19 C LIG 1 8.850 0.320 -0.015 0.00 0.00 +0.121 C BRANCH 19 21 ATOM 20 C LIG 1 10.674 -0.642 1.271 0.00 0.00 +0.101 C ATOM 21 N LIG 1 10.225 0.491 0.471 0.00 0.00 -0.316 NA ATOM 22 H LIG 1 10.843 0.580 -0.337 0.00 0.00 +0.122 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 11 17 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 3 23 ATOM 23 C LIG 1 -3.035 0.467 -2.168 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 N LIG 1 -3.975 -0.280 -1.340 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -3.567 -0.466 -0.427 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -5.235 0.330 -1.165 0.00 0.00 +0.130 A ATOM 27 C LIG 1 -6.204 -0.303 -0.358 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -7.438 0.362 -0.213 0.00 0.00 +0.088 A ATOM 29 C LIG 1 -8.415 -0.247 0.603 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -8.173 -1.481 1.240 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -6.962 -2.134 1.077 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -7.657 1.538 -0.845 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -6.677 2.032 -1.610 0.00 0.00 +0.223 A ATOM 34 C LIG 1 -5.986 -1.549 0.282 0.00 0.00 +0.013 A ATOM 35 N LIG 1 -5.479 1.484 -1.804 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 -9.764 0.350 0.852 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -10.600 -0.217 1.549 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -10.058 1.555 0.287 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -9.387 2.025 -0.314 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -10.973 1.956 0.432 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 10